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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.44 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.44 |
| ▸ | SRC known ✓ | P12931 | 1/20 | 0.44 |
| ▸ | DPP4 known ✓ | P27487 | 2/20 | 0.39 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.38 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | GRM8 | O00222 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 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 SCHEMBL9765211 | 0.98 | TDP1 (0.46) | TDP1NR1I2PTGS1ADRA1ALMNA | |
| Water SCHEMBL7731941 | 0.98 | TDP1 (0.46) | TDP1NR1I2PTGS1ADRA1ALMNA | |
| Hydrochloric Acid SCHEMBL304141 | 0.98 | TDP1 (0.46) | TDP1NR1I2PTGS1ADRA1ALMNA | |
| SCHEMBL6046193 | 0.96 | TDP1 (0.47) | TDP1NR1I2PTGS1ADRA1ALMNA | |
| SCHEMBL304041 | 0.96 | TDP1 (0.47) | TDP1NR1I2PTGS1ADRA1ALMNA | |
| SCHEMBL16826249 | 0.96 | TDP1 (0.47) | TDP1NR1I2PTGS1ADRA1ALMNA | |
| Hydrochloric Acid SCHEMBL30098210 | 0.82 | ALOX15 (0.52) | TDP1PTGS1ADRA1ALMNABLM | |
| Tyrosine SCHEMBL18301522 | 0.81 | SLC7A5 (0.75) | TDP1PTGS1LMNASLC7A5KMT2A | |
| SCHEMBL17477275 | 0.80 | ESR1 (0.52) | TDP1PTGS1ADRA1ALMNABLM | |
| SCHEMBL17477274 | 0.80 | ESR1 (0.52) | TDP1PTGS1ADRA1ALMNABLM |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0751765-B1 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA INC (US) | 2003-05-07 | — | — | EP | disclosed |
| EP-0904401-A4 | — | — | 1999-05-12 | — | — | EP | disclosed |
| EP-0904401-A1 | COMBINATORIAL HYDROXYPROPYLAMINE LIBRARY | PHARMACOPEIA, INC. (US) | 1999-03-31 | — | — | EP | disclosed |
| US-5766963-A | IDENTIFYING BIOLOGICALLY ACTIVE MEMBERS BY SCREENING IN BIOASSAYS | PHARMACOPEIA, INC. (US) | 1998-06-16 | — | — | US | disclosed |
| US-5756810-A | Process of preparing 3-nitro benzoate compounds in lower alkanol | PHARMACOPEIA, INC. (US) | 1998-05-26 | — | — | US | disclosed |
| WO-1997027315-A1 | COMBINATORIAL HYDROXYPROPYLAMINE LIBRARY | PHARMACOPEIA, INC. (US) | 1997-07-31 | — | — | WO | disclosed |
| EP-0751765-A4 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA INC (US) | 1997-05-28 | — | — | EP | disclosed |
| US-5618825-A | ENZYME INHIBITORS; ANTICOAGULANTS; VISION DISORDERS | PHARMACOPEIA, INC. (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0751765-A1 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA, INC. (US) | 1997-01-08 | — | — | EP | disclosed |
| WO-1995024186-A1 | SULFONAMIDE DERIVATIVES AND THEIR USE | PHARMACOPEIA, INC. (US) | 1995-09-14 | — | — | WO | disclosed |