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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 known ✓ | P54289 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AOC2 | O75106 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1393075 | 0.98 | USP2 (0.35) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL17732059 | 0.89 | USP2 (0.35) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL19614682 | 0.84 | GRM1 (0.34) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL8011488 | 0.79 | CYP4F2 (0.33) | AOC2GRM1CYP4F2CYP4A11 | |
| Hydrochloric Acid SCHEMBL27041637 | 0.78 | GRM1 (0.41) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL8254264 | 0.78 | PKM (0.36) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL893183 | 0.76 | FFAR3 (0.44) | GRM1 | |
| SCHEMBL17299153 | 0.75 | GRM1 (0.43) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL20944070 | 0.75 | FFAR3 (0.32) | CYP4F2CYP4A11 | |
| SCHEMBL23582647 | 0.74 | CYP2C19 (0.31) | AOC2GRM1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040058857-A1 | Method of treating cancer | YAO SIU-LONG (US) | 2004-03-25 | — | — | US | disclosed |
| EP-1009420-B1 | CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER | MERCK & CO INC (US) | 2003-12-17 | — | — | EP | disclosed |
| US-20030220241-A1 | Method of treating cancer | DEFEO-JONES DEBORAH (US) | 2003-11-27 | — | — | US | disclosed |
| US-20030215456-A1 | Method of treating cancer | YAO SUI-LONG (US) | 2003-11-20 | — | — | US | disclosed |
| US-20020173451-A1 | Method of treating cancer | YAO SUI-LONG (US) | 2002-11-21 | — | — | US | disclosed |
| WO-2002043567-A2 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 2002-06-06 | — | — | WO | disclosed |
| US-20020042375-A1 | Method of treating cancer | HEIMBROOK DAVID C (US) | 2002-04-11 | — | — | US | disclosed |
| US-20020041880-A1 | Method of treating cancer | DEFEO-JONES DEBORAH (US) | 2002-04-11 | — | — | US | disclosed |
| EP-1009420-A4 | CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER | MERCK & CO INC (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000059930-A1 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |
| US-6127333-A | COMPRISING OLIGOPEPTIDES, HAVING AMINO ACID SEQUENCES THAT ARE SELECTIVELY PROTEOLYTICALLY CLEAVED BY FREE PROSTATE SPECIFIC ANTIGEN AND KNOWN CYTOTOXIC AGENTS, CHARACTERIZED BY A DIAMINE LINKER BETWEEN THE OLIGOPEPTIDE AND VINBLASTINE | MERCK & CO., INC. (US) | 2000-10-03 | — | — | US | disclosed |
| EP-1009420-A1 | CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER | Merck & Co., Inc. (US) | 2000-06-21 | — | — | EP | disclosed |
| WO-1999002175-A1 | CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER | MERCK & CO., INC. (US) | 1999-01-21 | — | — | WO | disclosed |
| EP-0003409-B1 | PROCESS FOR PRODUCING 4-AMINO-METHYLBICYCLO(2,2,2)OCTANE-1-CARBOXYLIC ACID AND INTERMEDIATE COMPOUND THEREFOR | DAIICHI SEIYAKU CO., LTD. (JP) | 1981-11-25 | — | — | EP | disclosed |
| EP-0003409-A1 | Process for producing 4-amino-methylbicyclo(2,2,2)octane-1-carboxylic acid and intermediate compound therefor | DAIICHI SEIYAKU CO., LTD. (JP) | 1979-08-08 | — | — | EP | 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 (6 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-20030220241-A1 | Method of treating cancer | ACP3, PSAT1, LCAT | CACNA2D1 4473/4885USP2 2378/4885ALDH1A1 644/4885 |
| US-20020042375-A1 | Method of treating cancer | ACP3, KLK3, FOLH1 | CACNA2D1 3914/4885USP2 2984/4885ALDH1A1 86/4885 |
| US-20040058857-A1 | Method of treating cancer | KLK3, SHBG, ACP3 | CACNA2D1 4500/4885USP2 2884/4885ALDH1A1 356/4885 |
| US-20030215456-A1 | Method of treating cancer | TACR1, TACR2, KLK3 | CACNA2D1 3565/4885USP2 3468/4885ALDH1A1 1252/4885 |
| US-20020173451-A1 | Method of treating cancer | FOLH1, KLK3, ACP3 | CACNA2D1 3733/4885USP2 1660/4885ALDH1A1 231/4885 |
| US-20020041880-A1 | Method of treating cancer | ACP3, FOLH1, KLK3 | CACNA2D1 4402/4885USP2 2822/4885ALDH1A1 296/4885 |
“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.