Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic 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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL28777359 | 1.00 | CYP1A2 (0.41) | CYP1A2LMNACYP2D6EPHX1HPGD | |
| Acetic Acid SCHEMBL27585871 | 0.97 | CYP1A2 (0.37) | CYP1A2LMNACYP2D6EPHX1HPGD | |
| Bicarbonate SCHEMBL6470832 | 0.92 | CYP1A2 (0.42) | CYP1A2LMNACYP2D6EPHX1HPGD | |
| Acetone SCHEMBL28163399 | 0.92 | CYP1A2 (0.42) | CYP1A2EPHX1HPGDKMT2AALOX5 | |
| Propionic Acid SCHEMBL19813178 | 0.90 | FFAR3 (0.50) | CYP1A2LMNACYP2D6EPHX1HPGD | |
| Bicarbonate SCHEMBL10453278 | 0.90 | CYP1A2 (0.39) | CYP1A2LMNACYP2D6EPHX1HPGD | |
| Acetic Acid SCHEMBL28709986 | 0.87 | — | — | |
| Methacrylic Acid SCHEMBL6279551 | 0.87 | CYP1A2 (0.35) | CYP1A2LMNACYP2D6EPHX1HPGD | |
| Methacrylic Acid SCHEMBL3288561 | 0.87 | CYP1A2 (0.35) | CYP1A2LMNACYP2D6EPHX1HPGD | |
| Methacrylic Acid SCHEMBL3291139 | 0.87 | CYP1A2 (0.35) | CYP1A2LMNACYP2D6EPHX1HPGD |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114522722-B | Rare earth mesoporous molecular sieve, preparation method thereof and catalyst containing molecular sieve | 中国地质科学院矿产综合利用研究所 | 2023-07-07 | — | — | CN | claimed |
| CN-117396073-A | Microbiocidal tetrahydroisoquinoline derivatives | 先正达农作物保护股份公司 | 2024-01-12 | — | — | CN | disclosed |
| CN-117147510-A | Microfluidic immunoassay platform | 江苏大学 | 2023-12-01 | — | — | CN | disclosed |
| US-11807764-B2 | Ink compositions, production method thereof, and method of forming quantum dot polymer composite pattern using the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2023-11-07 | — | — | US | disclosed |
| CN-116925443-A | Rubber processing aid composition, rubber processing aid, application of rubber processing aid composition in rubber processing and rubber processing method | 中国石油化工股份有限公司 | 2023-10-24 | — | — | CN | disclosed |
| CN-116429745-A | Microfluidic biosensing platform based on up-conversion luminescence | 集美大学 | 2023-07-14 | — | — | CN | disclosed |
| CN-114522722-B | Rare earth mesoporous molecular sieve, preparation method thereof and catalyst containing molecular sieve | 中国地质科学院矿产综合利用研究所 | 2023-07-07 | — | — | CN | disclosed |
| CN-114761393-A | Heteroaryl substituted pyrazine derivatives as pesticides | 拜耳动物保健有限责任公司 | 2022-07-15 | — | — | CN | disclosed |
| CN-114585637-A | MASP inhibiting compounds and uses thereof | 拜耳公司 | 2022-06-03 | — | — | CN | disclosed |
| CN-114522722-A | Rare earth mesoporous molecular sieve, preparation method thereof and catalyst containing molecular sieve | 中国地质科学院矿产综合利用研究所 | 2022-05-24 | — | — | CN | disclosed |
| CN-108473484-B | Compounds useful as TRPM8 modulators | 弗门尼舍公司 | 2021-06-29 | — | — | CN | disclosed |
| CN-110698919-A | Ink composition, method of manufacturing the same, and method of forming composite pattern using the same | 三星显示有限公司 | 2020-01-17 | — | — | CN | disclosed |
| EP-1773854-B1 | AZASUGAR DERIVATIVES, HEPARANASE INHIBITORS, METHOD FOR PREPARING SAME, COMPOSITIONS CONTAINING SAME, USE THEREOF | SANOFI SA (FR) | 2011-09-21 | — | — | EP | disclosed |
| EP-1214932-A2 | Composition for decontamination of thickened toxic agents | Institut de Recherche Appliquée à la Formulation, l'Analyse et la Qualitique (FR) | 2002-06-19 | — | — | EP | disclosed |
| EP-0607088-B1 | New 17,20-epoxy pregnane derivatives, their use in the preparation of cortisone derivatives and intermediates therefor | ROUSSEL UCLAF (FR) | 1997-04-09 | — | — | EP | disclosed |
| EP-0676409-A1 | Erythromycin derivatives, their process for preparation and their application as medicaments | ROUSSEL UCLAF (FR) | 1995-10-11 | — | — | EP | disclosed |
| EP-0607088-A1 | New 17,20-epoxy pregnane derivatives, their use in the preparation of cortisone derivatives and intermediates therefor | ROUSSEL UCLAF (FR) | 1994-07-20 | — | — | EP | disclosed |
| EP-0516729-B1 | N-PHENYL N-ALKOXYCARBONYLALKYL GLYCINAMIDES, PREPARATION METHOD AND DRUGS CONTAINING THEM | RHONE POULENC RORER SA (FR) | 1993-12-29 | — | — | EP | disclosed |
| EP-0013200-B1 | ALKALINE HEMIESTERS OF BIS-(4-HYDROXYPHENYL)-ALKYLPHOSPHONIC ACIDS | ATO CHIMIE (FR) | 1982-10-06 | — | — | EP | disclosed |
| EP-0013200-A1 | Alkaline hemiesters of bis-(4-hydroxyphenyl)-alkylphosphonic acids | ATO CHIMIE (FR) | 1980-07-09 | — | — | EP | disclosed |