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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.56 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.51 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.51 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.49 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.48 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.48 |
| ▸ | PTPRF | P10586 | 1/20 | 0.56 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.56 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1262320 | 0.98 | CHRM2 (0.58) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| SCHEMBL3390503 | 0.83 | CHRM2 (0.60) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| SCHEMBL628651 | 0.81 | CHRM2 (0.72) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| Hydrochloric Acid SCHEMBL2955466 | 0.80 | CHRM2 (0.56) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| Hydrochloric Acid SCHEMBL28365077 | 0.80 | LOXL2 (0.59) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| SCHEMBL1829766 | 0.78 | LOXL2 (0.61) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| SCHEMBL11597593 | 0.78 | CHRM2 (0.79) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| SCHEMBL1938300 | 0.78 | CHRM2 (0.58) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| SCHEMBL6246420 | 0.78 | CHRM2 (0.58) | CHRM2PTPRFPTPN2PTPN1PTPN11 | |
| SCHEMBL5356054 | 0.78 | CHRM2 (0.58) | CHRM2PTPRFPTPN2PTPN1PTPN11 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8536157-B2 | Non-steroidal compounds | THE UNIVERSITY OF MELBOURNE (AU) | 2013-09-17 | — | — | US | disclosed |
| US-20120046255-A1 | NON-STEROIDAL COMPOUNDS | THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) | 2012-02-23 | — | — | US | disclosed |
| WO-2008124878-A1 | NON-STEROIDAL COMPOUNDS | CRYPTOPHARMA PTY LTD (AU) | 2008-10-23 | — | — | WO | disclosed |
| US-20070275935-A1 | Estratriene Derivatives | CRYPTOPHARMA PTY LTD (AU) | 2007-11-29 | — | — | US | disclosed |
| CN-1867577-A | Estratriene derivatives | CRYPTOPHARMA PTY LTD (AU) | 2006-11-22 | — | — | CN | disclosed |
| EP-1625143-A1 | ESTRATRIENE DERIVATIVES | Cryptopharma Pty Ltd (AU) | 2006-02-15 | — | — | EP | disclosed |
| WO-2004101595-A1 | ESTRATRIENE DERIVATIVES | CRYPTOPHARMA PTY LTD (AU) | 2004-11-25 | — | — | WO | disclosed |
| EP-0929563-A1 | 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY | Abbott Laboratories (US) | 1999-07-21 | — | — | EP | disclosed |
| WO-1998009978-A1 | 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY | ABBOTT LABORATORIES (US) | 1998-03-12 | — | — | 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 (2 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-20070275935-A1 | Estratriene Derivatives | ESR2, ESRRB, NR3C2 | CHRM2 846/4885HDAC3 1032/4885HDAC1 1171/4885 |
| US-20120046255-A1 | NON-STEROIDAL COMPOUNDS | PTGES2, PTGES, PTGES3 | CHRM2 2448/4885HDAC3 1016/4885HDAC1 1898/4885 |
“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.