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 | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.47 |
| ▸ | MAPK14 known ✓ | Q16539 | 2/20 | 0.47 |
| ▸ | CSF1R known ✓ | P07333 | 2/20 | 0.43 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.63 |
| ▸ | METAP1 | P53582 | 1/20 | 0.63 |
| ▸ | NPY5R | Q15761 | 2/20 | 0.52 |
| ▸ | PI4KA | P42356 | 1/20 | 0.50 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.50 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.50 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.47 |
| ▸ | RAF1 | P04049 | 2/20 | 0.47 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.47 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.47 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | PRMT5 | O14744 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL680854 | 0.98 | METAP2 (0.65) | METAP2METAP1NPY5RPI4KAPI4K2B | |
| SCHEMBL6385063 | 0.84 | METAP2 (0.60) | METAP2METAP1NPY5RNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL10964125 | 0.83 | METAP2 (0.56) | METAP2METAP1NPY5RNPC1RAB9A | |
| SCHEMBL30983911 | 0.82 | METAP2 (0.54) | METAP2METAP1NPY5RGAAMAPK13 | |
| SCHEMBL14877304 | 0.82 | METAP2 (0.54) | METAP2METAP1NPY5RMAPK13MAPK12 | |
| SCHEMBL10965168 | 0.81 | METAP2 (0.57) | METAP2METAP1NPY5RNPC1RAB9A | |
| SCHEMBL18486239 | 0.80 | METAP2 (0.56) | METAP2METAP1NPY5RNPC1RAB9A | |
| SCHEMBL369485 | 0.79 | METAP2 (0.61) | METAP2METAP1NPY5RGAANPC1 | |
| SCHEMBL11352710 | 0.78 | AURKA (0.63) | METAP2METAP1NPY5RNPC1RAB9A | |
| SCHEMBL4924097 | 0.78 | METAP2 (1.00) | METAP2METAP1PI4KAPI4K2BPI4K2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20090076019-A1 | METHODS FOR TREATING NEUROLOGICAL DISORDERS OR DAMAGE | MOUNT SINAI HOSPITAL (CA) | 2009-03-19 | — | — | US | disclosed |
| EP-0845989-B1 | PAIN-ALLEVIATING DRUG COMPOSITION | UNIV VIRGINIA COMMONWEALTH (US) | 2002-03-13 | — | — | EP | disclosed |
| US-5869498-A | ADMINISTERING A COMBINATION OF OXYCODONE, NAPROXEN AND A NONTOXIC N-METHYL-D-ASPARATATE (NMDA) RECEPTOR ANTAGONIST SUCH AS DEXTRORPHAN OR DEXTROMETHORPHAN | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1999-02-09 | — | — | US | disclosed |
| US-5863922-A | AN ANALGESICS MIXTURE COMPRISING ACETAMINOPHEN, SEDATIVE BUTALBITAL AND A N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST SELECTED FROM DEXTRORPHAN, DEXTROMETHORPHAN | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1999-01-26 | — | — | US | disclosed |
| US-5840731-A | COMPOSITION COMPRISING OPIOID ANALGESIC, ACETAMINOPHEN, NONTOXIC N-METHYL-D-ASPARTATE RECEPTOR ANTAGONIST | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1998-11-24 | — | — | US | disclosed |
| EP-0845989-A2 | PAIN-ALLEVIATING DRUG COMPOSITION AND METHOD FOR ALLEVIATING PAIN | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1998-06-10 | — | — | EP | disclosed |
| WO-1997004780-A2 | PAIN-ALLEVIATING DRUG COMPOSITION AND METHOD FOR ALLEVIATING PAIN | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1997-02-13 | — | — | WO | disclosed |
| US-5188825-A | Water soluble active material bonded to ion exchange resin | R. P. SCHERER CORPORATION | 1993-02-23 | — | — | US | disclosed |
| EP-0219458-B1 | MEDICAMENT ADSORBATES AND THEIR PREPARATION | WARNER-LAMBERT COMPANY (US) | 1990-05-23 | — | — | EP | disclosed |
| US-4818539-A | EDIBLE MATRIX, PRE-SWELLED ANHYDROUS HYDROCOLLOID, DRUG OR DIETARY FIBER | WARNER-LAMBERT COMPANY (US) | 1989-04-04 | — | — | US | disclosed |
| US-4804548-A | AGGLOMERATED MIXTURE OF CORE AND MATRIX; LECITHIN, GLYCERIDE, FATTY ACID AND/OR WAX | WARNER-LAMBERT COMPANY (US) | 1989-02-14 | — | — | US | disclosed |