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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.39 |
| ▸ | ARG1 | P05089 | 2/20 | 0.38 |
| ▸ | ARG2 | P78540 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | GGT1 | P19440 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
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 SCHEMBL6948114 | 1.00 | — | — | |
| SCHEMBL7567590 | 0.97 | MEN1 (0.46) | MEN1CYP1A2KMT2AALDH1A1THRB | |
| SCHEMBL18370 | 0.97 | — | — | |
| Bromide SCHEMBL6844526 | 0.94 | — | — | |
| Acetic Acid SCHEMBL6374415 | 0.92 | ALDH1A1 (0.43) | MEN1CYP1A2KMT2AALDH1A1THRB | |
| Ethylene Glycol SCHEMBL28284886 | 0.89 | MEN1 (0.41) | MEN1CYP1A2KMT2AALDH1A1THRB | |
| Pyruvate SCHEMBL1052425 | 0.87 | MEN1 (0.40) | MEN1CYP1A2KMT2AALDH1A1THRB | |
| Trifluoroacetic Acid SCHEMBL29002241 | 0.83 | MEN1 (0.38) | MEN1CYP1A2KMT2AALDH1A1THRB | |
| Hydrochloric Acid SCHEMBL4451547 | 0.78 | MEN1 (0.41) | MEN1CYP1A2KMT2AALDH1A1THRB | |
| Hydrochloric Acid SCHEMBL20742890 | 0.78 | MEN1 (0.41) | MEN1CYP1A2KMT2AALDH1A1THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0891362-B1 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LTD (GB) | 2004-03-17 | — | — | EP | disclosed |
| US-6228853-B1 | CHRONIC OBSTRUCTIVE PULMONARY DISEASE, BRONCHITIS, RESPIRATORY SYSTEM DISORDERS; ANTIASTHMATICS | GLAXO WELLCOME INC. | 2001-05-08 | — | — | US | disclosed |
| US-6215002-B1 | CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS | GLAXO WELLCOME INC. | 2001-04-10 | — | — | US | disclosed |
| EP-1019406-A1 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LIMITED (GB) | 2000-07-19 | — | — | EP | disclosed |
| EP-1015454-A1 | METHOD OF INHIBITING SERINE PROTEASE ENZYMES | GLAXO GROUP LIMITED (GB) | 2000-07-05 | — | — | EP | disclosed |
| EP-1003748-A2 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LIMITED (GB) | 2000-05-31 | — | — | EP | disclosed |
| US-6057457-A | ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS | GLAXO WELLCOME INC. (US) | 2000-05-02 | — | — | US | disclosed |
| US-5994344-A | BRONCHITIS THERAPY | GLAXO WELLCOME INC. (US) | 1999-11-30 | — | — | US | disclosed |
| WO-1999012933-A2 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LIMITED (GB) | 1999-03-18 | — | — | WO | disclosed |
| WO-1999012931-A1 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LIMITED (GB) | 1999-03-18 | — | — | WO | disclosed |
| WO-1999012932-A1 | METHOD OF INHIBITING SERINE PROTEASE ENZYMES | GLAXO GROUP LIMITED (GB) | 1999-03-18 | — | — | WO | disclosed |
| EP-0891362-A1 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LIMITED (GB) | 1999-01-20 | — | — | EP | disclosed |
| WO-1997036903-A1 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LIMITED (GB) | 1997-10-09 | — | — | WO | disclosed |