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 | 2/20 | 0.38 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.38 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CHRNB4 known ✓ | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 known ✓ | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 known ✓ | P36544 | 1/20 | 0.34 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PDXK | O00764 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29396407 | 0.98 | — | — | |
| SCHEMBL36005 | 0.98 | — | — | |
| Bromide SCHEMBL16498145 | 0.95 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP2E1CYP2A6CYP2B6 | |
| Butadiene SCHEMBL11085054 | 0.93 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL9343099 | 0.90 | ALDH1A1 (0.44) | ALDH1A1CYP2A6CYP2C19TP53TDP1 | |
| Styrene SCHEMBL10707688 | 0.88 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CYP2A6CYP2C19TP53 | |
| SCHEMBL11017339 | 0.86 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2E1CYP2A6CYP2B6 | |
| Phosphoric Acid SCHEMBL16498035 | 0.86 | HDAC1 (0.41) | ALDH1A1ADRA2AADRA2BADRA2CTDP1 | |
| Sulfuric Acid SCHEMBL6439967 | 0.86 | TDP1 (0.46) | ALDH1A1ADRA2AADRA2BADRA2CTDP1 | |
| SCHEMBL11456228 | 0.86 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP2E1CYP2A6CYP2B6 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0822248-B1 | Cleaning material for contact lens | MENICON CO LTD (JP) | 2003-11-12 | — | — | EP | disclosed |
| EP-1278818-A2 | LOW IONIC STRENGTH OPHTHALMIC COMPOSITIONS | BAUSCH & LOMB INCORPORATED (US) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001082984-A2 | LOW IONIC STRENGTH OPHTHALMIC COMPOSITIONS | BAUSCH & LOMB INCORPORATED (US) | 2001-11-08 | — | — | WO | disclosed |
| US-5919742-A | SOLID FORM; BLEND OF NONIONIC ADDITION POLYMER SURFACTANTS AND CROSSLINKING AGENT | MENICON CO., LTD. (JP) | 1999-07-06 | — | — | US | disclosed |
| EP-0822248-A2 | Cleaning material for contact lens | Menicon Co., Ltd. (JP) | 1998-02-04 | — | — | EP | disclosed |
| EP-0219312-B1 | Improved fluorine containing polymeric compositions useful in contact lenses | POLYMER TECHNOLOGY CORP (US) | 1995-12-20 | — | — | EP | disclosed |
| EP-0424099-B1 | Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses | POLYMER TECHNOLOGY CORP (US) | 1995-10-04 | — | — | EP | disclosed |
| US-5346978-A | Polymeric compositions useful in oxygen permeable contact lenses | POLYMER TECHNOLOGY CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5177168-A | Copolymer of an unsaturated carboxylic acid ester | POLYMER TECHNOLOGY CORP. (US) | 1993-01-05 | — | — | US | disclosed |
| EP-0424099-A2 | Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses | POLYMER TECHNOLOGY CORPORATION (US) | 1991-04-24 | — | — | EP | disclosed |
| US-4604479-A | Silicone-containing contact lens material and contact lenses made thereof | POLYMER TECHNOLOGY CORPORATION (US) | 1986-08-05 | — | — | US | disclosed |
| US-4463149-A | UNSATURATED POLYSILOXANES | POLYMER TECHNOLOGY CORPORATION (US) | 1984-07-31 | — | — | US | disclosed |
| US-4436730-A | CATIONIC PROTECTIVE COATING FOR CONTACT LENSES | POLYMER TECHNOLOGY CORPORATION (US) | 1984-03-13 | — | — | US | disclosed |
| US-4424328-A | POLYMERS OF UNSATURATED MULTIFUNCTIONAL POLYSILOXANES | POLYMER TECHNOLOGY CORPORATION (US) | 1984-01-03 | — | — | US | disclosed |
| US-4330383-A | REMOVAL OF MONOMER RESIDUE BY HIGH-ENERGY RADIATION OF AN UNSATURATED MONOMER-SILOXANYL ALKYL ESTER VINYL COPOLYMER | POLYMER TECHNOLOGY CORPORATION (US) | 1982-05-18 | — | — | US | disclosed |
| US-4321261-A | Ionic ophthalmic solutions | POLYMER TECHNOLOGY CORPORATION (US) | 1982-03-23 | — | — | US | disclosed |
| US-4168112-A | Contact lens with a hydrophilic, polyelectrolyte complex coating and method for forming same | POLYMER TECHNOLOGY CORPORATION (US) | 1979-09-18 | — | — | US | disclosed |
| US-4152508-A | OXYGEN PERMEABILITY, DIMENSIONAL STABILITY | POLYMER TECHNOLOGY CORPORATION (US) | 1979-05-01 | — | — | US | disclosed |
| US-4102827-A | Novel polyelectrolytes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1978-07-25 | — | — | US | disclosed |
| US-4036808-A | POLYVINYL ALCOHOL BINDER, QUATERNARY AMMONIUM POLYMER | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1977-07-19 | — | — | US | disclosed |