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 | 0.73 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.57 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.55 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.55 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.46 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | PTPRF | P10586 | 1/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6575468 | 0.98 | CHRM2 (0.76) | CHRM2CA1CA2CA12CA4 | |
| SCHEMBL30814822 | 0.98 | CHRM2 (0.76) | CHRM2CA1CA2CA12CA4 | |
| SCHEMBL1520064 | 0.95 | CHRM2 (0.75) | CHRM2CA1CA2CA12CA4 | |
| Acetic Acid SCHEMBL10437247 | 0.90 | CHRM2 (0.64) | CHRM2CA1CA2CA12CA4 | |
| SCHEMBL10874545 | 0.89 | CHRM2 (0.76) | CHRM2CA1CA2CA12CA4 | |
| SCHEMBL11597593 | 0.88 | CHRM2 (0.79) | CHRM2CA1CA2CA12CA4 | |
| SCHEMBL10045277 | 0.86 | CHRM2 (0.90) | CHRM2CA1CA2CA12CA4 | |
| Acetic Acid SCHEMBL9334204 | 0.86 | CHRM2 (0.63) | CHRM2CA1CA2CA12CA4 | |
| SCHEMBL9255649 | 0.85 | KCNH2 (0.61) | CHRM2CA1CA2CA12CA4 | |
| Hydrochloric Acid SCHEMBL5099421 | 0.84 | CHRM2 (0.59) | CHRM2CA1CA2CA12CA4 |
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-5670479-A | α-ketoamide derivatives as inhibitors of thrombosis | CORVAS INTERNATIONAL, INC. (US) | 1997-09-23 | — | — | US | disclosed |
| US-5656600-A | MODIFIED POLYPEPTIDES | CORVAS INTERNATIONAL, INC. (US) | 1997-08-12 | — | — | US | disclosed |
| EP-0693083-A4 | ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS | CORVAS INT INC (US) | 1996-07-17 | — | — | EP | disclosed |
| EP-0693083-A1 | ALPHA-KETOAMIDE DERIVATIVES AS INHIBITORS OF THROMBOSIS | CORVAS INTERNATIONAL, INC. (US) | 1996-01-24 | — | — | EP | disclosed |
| EP-0355860-A1 | A bifunctional metal chelating agent and a precursor compound | GANSOW, Otto A. (US) | 1990-02-28 | — | — | EP | disclosed |
| EP-0315220-A1 | Method of forming a metal chelate protein conjugate | GANSOW, Otto A. (US) | 1989-05-10 | — | — | EP | disclosed |
| US-4824986-A | Metal chelate protein conjugate | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1989-04-25 | — | — | US | disclosed |
| EP-0220279-A1 | METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE | GANSOW, Otto A. (US) | 1987-05-06 | — | — | EP | disclosed |
| WO-1986006384-A1 | METHOD OF FORMING A METAL CHELATE PROTEIN CONJUGATE | GANSOW OTTO A (US) | 1986-11-06 | — | — | WO | disclosed |