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 | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL10412696 | 0.98 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| Bicarbonate SCHEMBL10361296 | 0.94 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL200410 | 0.90 | — | — | |
| Bicarbonate SCHEMBL5440901 | 0.88 | PTGS1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL4419905 | 0.88 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL3878315 | 0.88 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL2691839 | 0.88 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL7704612 | 0.88 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL2690321 | 0.88 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11300049 | 0.88 | KMT2A (0.52) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4036842-A | FRIEDEL CRAFTS CATALYST | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-07-19 | — | — | US | claimed |
| US-12152155-B2 | Direct food contact inks | SUN CHEMICAL CORPORATION (US) | 2024-11-26 | — | — | US | disclosed |
| CN-114907242-B | Synthesis method of 8-mercapto-6-oxooctanoic acid | 诚达药业股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-114874184-B | Method for synthesizing lipoic acid | 诚达药业股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-116837043-A | Application of reductive amination enzyme in asymmetric synthesis of chiral amine | 江南大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-116837042-A | Application of reductive amination enzyme in asymmetric synthesis of chiral amine | 江南大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-217578737-U | Synthetic system is used in lipoic acid preparation | 诚达药业股份有限公司 | 2022-10-14 | — | — | CN | disclosed |
| US-20220282101-A1 | DIRECT FOOD CONTACT INKS | SUN CHEMICAL CORPORATION (US) | 2022-09-08 | — | — | US | disclosed |
| CN-114907242-A | Synthesis method of 8-mercapto-6-oxooctanoic acid | 诚达药业股份有限公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-114874184-A | Synthetic method of lipoic acid | 诚达药业股份有限公司 | 2022-08-09 | — | — | CN | disclosed |
| EP-0239306-B1 | TETRAHYDROCARBAZOLE ESTERS | MERCK FROSST CANADA INC. (CA) | 1993-06-02 | — | — | EP | disclosed |
| EP-0234708-B1 | TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS | MERCK FROSST CANADA INC. (CA) | 1991-02-27 | — | — | EP | disclosed |
| US-4940719-A | Tetrahydrocarbazole esters, pharmaceutical compositions and use | MERCK FROSST CANADA, INC. (CA) | 1990-07-10 | — | — | US | disclosed |
| EP-0310179-A2 | Tetrahydrocarbazole esters | MERCK FROSST CANADA INC. (CA) | 1989-04-05 | — | — | EP | disclosed |
| EP-0307077-A1 | Tetrahydrocarbazoles for the improvement of cyclosporin therapy | MERCK FROSST CANADA INC. (CA) | 1989-03-15 | — | — | EP | disclosed |
| US-4808608-A | ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT | MERCK & CO., INC. (US) | 1989-02-28 | — | — | US | disclosed |
| EP-0300676-A2 | Tetrahydrocarbazole 1-alkanoic acids | MERCK FROSST CANADA INC. (CA) | 1989-01-25 | — | — | EP | disclosed |
| EP-0239306-A2 | Tetrahydrocarbazole esters | MERCK FROSST CANADA INC. (CA) | 1987-09-30 | — | — | EP | disclosed |
| EP-0234708-A1 | Tetrahydrocarbazole 1-alkanoic acids | MERCK FROSST CANADA INC. (CA) | 1987-09-02 | — | — | EP | disclosed |
| US-4021451-A | P-(3,4-DIHYDRO-1-METHYL-1H-(1)BENZOTHIENO(2,3-C)PYRAN-1-YL)PHENYL) -ACETIC ACID | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-05-03 | — | — | US | disclosed |