Hydrochloric Acid

Hydrochloric Acid

SCHEMBL538142

CN(C)C(=O)CC1c2cc(OCCc3cn4c(n3)NCCC4)ccc2C[C@@H](CC(=O)O)C(=O)N1CC(F)(F)F.Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

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 11)

geneUniProtsupporting neighboursconfidence
ITGB3 known ✓ P05106 12/20 0.44
ITGA2B known ✓ P08514 5/20 0.44
PPARG known ✓ P37231 6/20 0.32
PDE3B known ✓ Q13370 1/20 0.31
PDE3A known ✓ Q14432 1/20 0.31
ITGAV P06756 12/20 0.44
ITGB6 P18564 5/20 0.34
ITGB5 P18084 3/20 0.34
PPARA Q07869 7/20 0.32
ITGB1 P05556 1/20 0.32
PPARD Q03181 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2121719 0.99 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL2811615 0.99 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB6ITGB5
Hydrochloric Acid SCHEMBL538412 0.93 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB6ITGB5
Hydrochloric Acid SCHEMBL538753 0.93 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL538585 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL2119815 0.92 ITGB3 (0.47) ITGB3ITGAVITGA2BITGB6ITGB5
Hydrochloric Acid SCHEMBL538176 0.91 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL538683 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2BITGB6ITGB5
Hydrochloric Acid SCHEMBL538366 0.89 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB6ITGB5
Hydrochloric Acid SCHEMBL537991 0.89 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB6ITGB5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377922-B2 Benzazepinone compound UBE INDUSTRIES, LTD. (JP) 2013-02-19 US disclosed
US-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES UBE INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
EP-2415474-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF OPHTHALMIC DISEASES Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20100249396-A1 BENZAZEPINONE COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES VEGFA, UACA, PGF ITGB3 1280/4885ITGA2B 2740/4885PPARG 259/4885
US-20100249396-A1 BENZAZEPINONE COMPOUND KCNJ11, KCNJ1, KCNJ2 ITGB3 3002/4885ITGA2B 2977/4885PPARG 351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.