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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.45 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CPN1 | P15169 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
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 SCHEMBL25411067 | 1.00 | CYP1A2 (0.50) | CYP1A2TDP1HTR1AKMT2ASIGMAR1 | |
| SCHEMBL1688129 | 0.98 | CYP1A2 (0.52) | CYP1A2TDP1HTR1AKMT2ASIGMAR1 | |
| SCHEMBL24998780 | 0.90 | KMT2A (0.51) | CYP1A2TDP1HTR1AKMT2AHTT | |
| SCHEMBL1860296 | 0.85 | ALDH1A1 (0.48) | TDP1KMT2ASIGMAR1HTTSMN1; SMN2 | |
| SCHEMBL22814152 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL55554 | 0.83 | KMT2A (0.50) | CYP1A2TDP1HTR1AKMT2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL6602236 | 0.82 | GNAI3 (0.59) | SIGMAR1HTTCPN1CPB2 | |
| SCHEMBL21280863 | 0.82 | HTT (0.56) | KMT2AMAPTHTTSMN1; SMN2LMNA | |
| SCHEMBL4034615 | 0.80 | KMT2A (0.51) | CYP1A2TDP1HTR1AKMT2ASIGMAR1 | |
| SCHEMBL6602806 | 0.79 | GNAI3 (0.57) | SIGMAR1CPN1CPB2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140349970-A1 | NOVEL TRICYCLIC COMPOUNDS | ABBVIE INC. (US) | 2014-11-27 | — | — | US | disclosed |
| EP-2032583-B1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2014-11-19 | — | — | EP | disclosed |
| US-8785639-B2 | Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof | ABBVIE INC. (US) | 2014-07-22 | — | — | US | disclosed |
| US-8232278-B2 | Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C | GILEAD SCIENCES, INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-8203001-B2 | Chemical compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-19 | — | — | US | disclosed |
| US-8129371-B2 | Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors | WYETH LLC (US) | 2012-03-06 | — | — | US | disclosed |
| US-20110190489-A1 | Novel Tricyclic Compounds | ABBOTT LABORATORIES (US) | 2011-08-04 | — | — | US | disclosed |
| EP-2212333-A1 | THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS | Wyeth LLC (US) | 2010-08-04 | — | — | EP | disclosed |
| US-20090258857-A1 | CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-15 | — | — | US | disclosed |
| US-20090131414-A1 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C | GILEAD SCIENCES, INC. (US) | 2009-05-21 | — | — | US | disclosed |
| WO-2009052145-A1 | THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS | WYETH (US) | 2009-04-23 | — | — | WO | disclosed |
| US-20090098086-A1 | THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS | WYETH (US) | 2009-04-16 | — | — | US | disclosed |
| EP-1899332-A1 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. | GILEAD SCIENCES, INC. (US) | 2008-03-19 | — | — | EP | disclosed |
| WO-2006135993-A1 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. | GILEAD SCIENCES, INC. (US) | 2006-12-28 | — | — | 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 (5 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-20090258857-A1 | CHEMICAL COMPOUNDS | CCNA1, CCNT1, MKI67 | HTR1A 479/4885SIGMAR1 423/4885CYP1A2 83/4885 |
| US-20090131414-A1 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C | DPYD, TYMP, PNPO | HTR1A 1435/4885SIGMAR1 3744/4885CYP1A2 159/4885 |
| US-20090098086-A1 | THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS | MTOR, PIK3CA, PIK3CD | HTR1A 4091/4885SIGMAR1 3922/4885CYP1A2 1231/4885 |
| US-20140349970-A1 | NOVEL TRICYCLIC COMPOUNDS | CCNI, IL2, IL4I1 | HTR1A 1498/4885SIGMAR1 1563/4885CYP1A2 15/4885 |
| US-20110190489-A1 | Novel Tricyclic Compounds | CCNI, IL2, IL4I1 | HTR1A 1498/4885SIGMAR1 1563/4885CYP1A2 15/4885 |
“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.