Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE known ✓ | P06276 | 1/20 | 0.37 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.35 |
| ▸ | HTR7 known ✓ | P34969 | 1/20 | 0.35 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 3/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19358949 | 1.00 | TNF (0.45) | TNFCDK1CDK2PNMTBCHE | |
| SCHEMBL30180775 | 0.98 | TNF (0.46) | TNFCDK1CDK2PNMTBCHE | |
| SCHEMBL669865 | 0.98 | TNF (0.46) | TNFCDK1CDK2PNMTBCHE | |
| SCHEMBL16738368 | 0.97 | TNF (0.45) | TNFCDK1CDK2PNMTBCHE | |
| SCHEMBL5550507 | 0.97 | TNF (0.45) | TNFCDK1CDK2PNMTBCHE | |
| Bromide SCHEMBL16701359 | 0.97 | TNF (0.45) | TNFCDK1CDK2PNMTBCHE | |
| SCHEMBL28326382 | 0.88 | TNF (0.38) | TNFCDK1CDK2PNMTBCHE | |
| SCHEMBL30239992 | 0.86 | CDK1 (0.39) | TNFCDK1CDK2PNMTBCHE | |
| SCHEMBL30239986 | 0.86 | CDK1 (0.39) | TNFCDK1CDK2PNMTBCHE | |
| SCHEMBL27963572 | 0.86 | CDK1 (0.39) | TNFCDK1CDK2PNMTBCHE |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9796753-B2 | N-substituted indenoisoquinolines and syntheses thereof | PURDUE RESEARCH FOUNDATION (US) | 2017-10-24 | — | — | US | disclosed |
| EP-3112349-A2 | A PROCESS FOR PREPARING N-SUBSTITUTED INDENOISOQUINOLINES | Purdue Research Foundation (US) | 2017-01-04 | — | — | EP | disclosed |
| US-20160229888-A1 | N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-08-11 | — | — | US | disclosed |
| US-9402842-B2 | Synthesis and use of dual tyrosyl-DNA phosphodiesterase I (Tdp1)—topoisomerase I (Top1) inhibitors | PURDUE RESEARCH FOUNDATION (US) | 2016-08-02 | — | — | US | disclosed |
| US-9399660-B2 | N-substituted indenoisoquinolines and syntheses thereof | PURDUE RESEARCH FOUNDATION (US) | 2016-07-26 | — | — | US | disclosed |
| EP-1960366-B1 | N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2016-07-20 | — | — | EP | disclosed |
| US-9388211-B2 | N-substituted indenoisoquinolines and syntheses thereof | PURDUE RESEARCH FOUNDATION (US) | 2016-07-12 | — | — | US | disclosed |
| US-20160081999-A1 | SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (Tdp1) - TOPOISOMERASE I (Top1) INHIBITORS | PURDUE RESEARCH FOUNDATION (US) | 2016-03-24 | — | — | US | disclosed |
| US-9217010-B2 | N-substituted indenoisoquinolines and syntheses thereof | PURDUE RESEARCH FOUNDATION (US) | 2015-12-22 | — | — | US | disclosed |
| US-9175002-B2 | Synthesis and use of dual tyrosyl-DNA phosphodiesterase I (Tdp1)—topoisomerase I (Top1) inhibitors | PURDUE RESEARCH FOUNDATION (US) | 2015-11-03 | — | — | US | disclosed |
| US-20150133445-A1 | SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (Tdp1) - TOPOISOMERASE I (Top1) INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-05-14 | — | — | US | disclosed |
| US-8912213-B2 | Synthesis and use of dual tyrosyl-DNA phosphodiesterase I (TDP1)- topoisomerase I (TOP1) inhibitors | PURDUE RESEARCH FOUNDATION (US) | 2014-12-16 | — | — | US | disclosed |
| US-20140336188-A1 | N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2014-11-13 | — | — | US | disclosed |
| US-8829022-B2 | N-substituted indenoisoquinolines and syntheses thereof | PURDUE RESEARCH FOUNDATION (US) | 2014-09-09 | — | — | US | disclosed |
| US-20130345252-A1 | SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (TDP1)- TOPOISOMERASE I (TOP1) INHIBITORS | PURDUE RESEARCH FOUNDATION | 2013-12-26 | — | — | US | disclosed |
| US-20120101119-A1 | N-substituted indenoisoquinolines and syntheses thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-04-26 | — | — | US | disclosed |
| US-8053443-B2 | N-substituted indenoisoquinolines and syntheses thereof | PURDUE RESEARCH FOUNDATION (US) | 2011-11-08 | — | — | US | disclosed |
| US-20080318995-A1 | N-Substituted Indenoisoquinolines and Syntheses Thereof | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2008-12-25 | — | — | US | disclosed |
| EP-1960366-A2 | N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF | Purdue Research Foundation (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007059008-A2 | N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2007-05-24 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150133445-A1 | SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (Tdp1) - TOPOISOMERASE I (Top1) INHIBITORS | TDP1, TOP1, TDP2 | BCHE 1962/4885ACHE 763/4885CA2 2915/4885 |
| US-20080318995-A1 | N-Substituted Indenoisoquinolines and Syntheses Thereof | GNAQ, NRAS, NPM1 | BCHE 1356/4885ACHE 1464/4885CA2 4570/4885 |
| US-20120101119-A1 | N-substituted indenoisoquinolines and syntheses thereof | GNAQ, NRAS, NPM1 | BCHE 1356/4885ACHE 1464/4885CA2 4570/4885 |
| US-20160081999-A1 | SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (Tdp1) - TOPOISOMERASE I (Top1) INHIBITORS | TDP1, TOP1, TDP2 | BCHE 1962/4885ACHE 763/4885CA2 2915/4885 |
| US-20140336188-A1 | N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF | GNAQ, NRAS, NPM1 | BCHE 1356/4885ACHE 1464/4885CA2 4570/4885 |
| US-20130345252-A1 | SYNTHESIS AND USE OF DUAL TYROSYL-DNA PHOSPHODIESTERASE I (TDP1)- TOPOISOMERASE I (TOP1) INHIBITORS | TDP1, TOP1, TDP2 | BCHE 1962/4885ACHE 763/4885CA2 2915/4885 |
| US-20160229888-A1 | N-SUBSTITUTED INDENOISOQUINOLINES AND SYNTHESES THEREOF | GNAQ, NRAS, NPM1 | BCHE 1356/4885ACHE 1464/4885CA2 4570/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.