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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 known ✓ | Q9Y5N1 | 3/20 | 0.57 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.65 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | APEX1 | P27695 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
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 SCHEMBL27541751 | 1.00 | CYP3A4 (0.65) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7321531 | 1.00 | CYP3A4 (0.65) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27415903 | 1.00 | CYP3A4 (0.65) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL262239 | 0.98 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL1581156 | 0.98 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL3846866 | 0.98 | CYP3A4 (0.67) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| Histidine SCHEMBL27489002 | 0.94 | CYP3A4 (0.76) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| Histidine SCHEMBL27511747 | 0.94 | CYP3A4 (0.76) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28331180 | 0.88 | CYP3A4 (0.69) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 | |
| SCHEMBL388562 | 0.87 | CYP3A4 (0.73) | CYP3A4SLC7A5HRH4HRH3ALDH1A1 |
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-2292585-B1 | Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound | APTUIT WEST LAFAYETTE LLC (US) | 2016-04-27 | — | — | EP | disclosed |
| US-8920559-B2 | Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound | APTUIT (WEST LAFAYETTE), LLC (US) | 2014-12-30 | — | — | US | disclosed |
| US-8350085-B2 | Cocrystallization | NEW FORM PHARMACEUTICALS INC. (US) | 2013-01-08 | — | — | US | disclosed |
| US-8212079-B2 | Cocrystallization | APTUIT (WEST LAFAYETTE), LLC (US) | 2012-07-03 | — | — | US | disclosed |
| WO-2011144358-A1 | HISTIDINE-CONTAINING SOLUTION FOR TRANSFECTION AND/OR INJECTION OF NUCLEIC ACIDS AND USES THEREOF | CUREVAC GMBH (DE) | 2011-11-24 | — | — | WO | disclosed |
| EP-2387999-A1 | Histidine-containing solution for transfection and/or injection of nucleic acids and uses thereof | CureVac GmbH (DE) | 2011-11-23 | — | — | EP | disclosed |
| US-20110257430-A1 | NOVEL COCRYSTALLIZATION | APTUIT (KANSAS CITY), LLC (US) | 2011-10-20 | — | — | US | disclosed |
| US-20110251426-A1 | SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND | S.S.C.I., INC. (US) | 2011-10-13 | — | — | US | disclosed |
| EP-2292585-A1 | Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound | APTUIT (KANSAS CITY), LLC (US) | 2011-03-09 | — | — | EP | disclosed |
| US-20090281195-A1 | NOVEL COCRYSTALLIZATION | S.S.C.I., INC. (US) | 2009-11-12 | — | — | US | disclosed |
| US-7452555-B2 | Cocrystallization | S.S.C.I., INC. (US) | 2008-11-18 | — | — | US | disclosed |
| US-20070287194-A1 | Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound | S.S.C.I., INC | 2007-12-13 | — | — | US | disclosed |
| US-20070088508-A1 | Cocrystallization methods | APTUIT (WEST LAFAYETTE), LLC | 2007-04-19 | — | — | US | disclosed |