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 | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.63 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.55 |
| ▸ | CHRNB4 known ✓ | P30926 | 2/20 | 0.50 |
| ▸ | CHRNA3 known ✓ | P32297 | 2/20 | 0.50 |
| ▸ | CHRNA7 known ✓ | P36544 | 2/20 | 0.50 |
| ▸ | REN known ✓ | P00797 | 1/20 | 0.50 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.48 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.58 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.50 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.50 |
| ▸ | ATR | Q13535 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 SCHEMBL3922069 | 1.00 | SIGMAR1 (0.63) | SIGMAR1HRH4ACHECHRNB2CHRNB4 | |
| SCHEMBL1090206 | 0.98 | SIGMAR1 (0.65) | SIGMAR1HRH4ACHECHRNB2CHRNB4 | |
| SCHEMBL10293578 | 0.98 | SIGMAR1 (0.65) | SIGMAR1HRH4ACHECHRNB2CHRNB4 | |
| SCHEMBL1090204 | 0.98 | SIGMAR1 (0.65) | SIGMAR1HRH4ACHECHRNB2CHRNB4 | |
| Hydrochloric Acid SCHEMBL26668503 | 0.89 | HRH4 (0.56) | SIGMAR1HRH4ACHERENHPGD | |
| SCHEMBL26668450 | 0.88 | HRH4 (0.58) | SIGMAR1HRH4ACHERENHPGD | |
| SCHEMBL12237810 | 0.84 | PKM (0.56) | SIGMAR1HRH4HPGDALDH1A1CA1 | |
| SCHEMBL17277268 | 0.84 | PKM (0.56) | SIGMAR1HRH4HPGDALDH1A1CA1 | |
| SCHEMBL25777824 | 0.84 | ACHE (0.69) | SIGMAR1ACHEHPGDKDM4EKMT2A | |
| SCHEMBL12237834 | 0.84 | PKM (0.56) | SIGMAR1HRH4HPGDALDH1A1CA1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090264415-A2 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT | 4 AZA IP NV (BE) | 2009-10-22 | — | — | US | disclosed |
| EP-1381366-B9 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2009-10-21 | — | — | EP | disclosed |
| EP-1381366-B1 | INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2009-04-22 | — | — | EP | disclosed |
| US-20090036430-A1 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT | 4 AZA IP NV (BE) | 2009-02-05 | — | — | US | disclosed |
| WO-2009003669-A2 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT | 4 AZA IP NV (BE) | 2009-01-08 | — | — | WO | disclosed |
| US-7473688-B2 | Indolobenzazepine HCV NS5B inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-06 | — | — | US | disclosed |
| US-20080004285-A1 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT | 4 AZA IP NV (BE) | 2008-01-03 | — | — | US | disclosed |
| US-20070259879-A1 | Piperazine and piperidine biaryl derivatives | TRIMERIS, INC. | 2007-11-08 | — | — | US | disclosed |
| WO-2007103456-A2 | PIPERAZINE AND PIPERIDINE BIARYL DERIVATIVES | TRIMERIS, INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| US-20070078122-A1 | Indolobenzazepine HCV NS5B inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-04-05 | — | — | US | disclosed |
| WO-2006085199-A1 | PIPERAZINE DERIVATIVES | PFIZER LIMITED (GB) | 2006-08-17 | — | — | WO | disclosed |
| US-6825201-B2 | ANTIVIRAL ACTIVITY; TREATMENT OF HIV AND AIDS | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-30 | — | — | US | disclosed |
| US-20030096825-A1 | Indole, azaindole and related heterocyclic amidopiperazine derivatives | VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) | 2003-05-22 | — | — | US | 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-20080004285-A1 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT | PNPO, TYMP, PNP | SIGMAR1 1062/4885ACHE 1009/4885CHRNB4 468/4885 |
| US-20070078122-A1 | Indolobenzazepine HCV NS5B inhibitors | HTR3C, IDO1, HTR3B | SIGMAR1 545/4885ACHE 888/4885CHRNB4 1427/4885 |
| US-20090036430-A1 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT | PNPO, TYMP, PNP | SIGMAR1 1062/4885ACHE 1009/4885CHRNB4 468/4885 |
| US-20070259879-A1 | Piperazine and piperidine biaryl derivatives | CYP3A5, CYP3A43, CCR5 | SIGMAR1 833/4885ACHE 3062/4885CHRNB4 4772/4885 |
| US-20090264415-A2 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT | PNPO, TYMP, PNP | SIGMAR1 1062/4885ACHE 1009/4885CHRNB4 468/4885 |
| US-20030096825-A1 | Indole, azaindole and related heterocyclic amidopiperazine derivatives | IDO1, IDO2, INMT | SIGMAR1 717/4885ACHE 824/4885CHRNB4 4472/4885 |
“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.