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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 18/20 | 0.74 |
| ▸ | ADRA2B known ✓ | P18089 | 18/20 | 0.74 |
| ▸ | ADRA2C known ✓ | P18825 | 18/20 | 0.74 |
| ▸ | ADRA1D known ✓ | P25100 | 7/20 | 0.74 |
| ▸ | ADRA1A known ✓ | P35348 | 7/20 | 0.74 |
| ▸ | ADRA1B known ✓ | P35368 | 7/20 | 0.74 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8674956 | 0.91 | ADRA2A (0.84) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL679239 | 0.86 | ADRA2A (1.00) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL13017287 | 0.74 | ADRA2A (0.79) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL6788672 | 0.72 | ADRA2A (0.59) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL7742994 | 0.70 | ADRA2A (0.69) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL8117260 | 0.70 | ADRA2A (0.69) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL5816998 | 0.70 | ADRA2A (0.68) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL13516592 | 0.70 | ADRA2A (0.68) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL11480097 | 0.70 | ADRA2A (0.68) | ADRA2AADRA2BADRA2CADRA1DADRA1A | |
| SCHEMBL11185457 | 0.70 | ADRA2A (0.68) | ADRA2AADRA2BADRA2CADRA1DADRA1A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1285657-A2 | Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives | Allergan, Inc. (US) | 2003-02-26 | — | — | EP | disclosed |
| US-6323204-B1 | ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIISCHEMIC AGENTS | ALLERGAN | 2001-11-27 | — | — | US | disclosed |
| EP-1140095-A1 | (2-IMIDAZOLINE-2-YLAMINO) QUINOXALINE DERIVATIVES FOR THE TREATMENT OF PAIN | Allergan Sales, Inc. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000038684-A1 | (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES FOR THE TREATMENT OF PAIN | ALLERGAN SALES, INC. (US) | 2000-07-06 | — | — | WO | disclosed |
| US-5714486-A | ADMINISTERING TO MAMMAL TO ANESTHETIZE CENTRAL NERVOUS SYSTEM | ALLERGAN (US) | 1998-02-03 | — | — | US | disclosed |
| US-5561132-A | ADMINISTERING TO ALTER RATE OF FLUID TRANSPORT IN GASTROINTESTINAL TRACT | ALLERGAN (US) | 1996-10-01 | — | — | US | disclosed |
| US-5552403-A | ANTIISCHEMIC AGENTS | ALLERGAN (US) | 1996-09-03 | — | — | US | disclosed |
| EP-0723447-A1 | METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES | Allergan (US) | 1996-07-31 | — | — | EP | disclosed |
| EP-0426390-B1 | Method for using (2-imidazolin-2-ylamino) quinoxalines to reduce or maintain intraocular pressure | ALLERGAN INC (US) | 1995-05-10 | — | — | EP | disclosed |
| WO-1995010280-A1 | METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES | ALLERGAN (US) | 1995-04-20 | — | — | WO | disclosed |
| EP-0426390-A2 | Method for using (2-imidazolin-2-ylamino) quinoxalines to reduce or maintain intraocular pressure | ALLERGAN, INC. (US) | 1991-05-08 | — | — | EP | disclosed |