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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.89 |
| ▸ | CA4 | P22748 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 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 SCHEMBL140521 | 1.00 | CA1 (0.89) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL7525441 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL7721224 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL8679492 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL710929 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL8504560 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL1692008 | 0.95 | CA1 (0.80) | CA1CA4LMNATSHRTHPO | |
| Acetic Acid SCHEMBL7054386 | 0.95 | — | — | |
| Acetic Acid SCHEMBL1434567 | 0.89 | — | — | |
| Acetic Acid SCHEMBL9789970 | 0.89 | CA1 (0.89) | CA1CA4LMNATSHRTHPO |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116709890-A | Preparation method of piezoelectric ceramic composite material with Schwarz P structure | 大连海事大学 | 2023-09-05 | — | — | CN | claimed |
| CN-116709890-A | Preparation method of piezoelectric ceramic composite material with Schwarz P structure | 大连海事大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-115207830-A | Grouting plugging method for through hole of cable conduit | 江西创可通工程技术有限公司 | 2022-10-18 | — | — | CN | disclosed |
| EP-0858444-A4 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 1999-12-01 | — | — | EP | disclosed |
| EP-0858444-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 1998-08-19 | — | — | EP | disclosed |
| US-5750549-A | ANTIINFLAMMATORY AGENTS OR ANALGESICS | MERCK & CO., INC. (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997014671-A1 | CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1997-04-24 | — | — | WO | disclosed |
| US-3957598-A | Metal hydrates and salts of carboxylic acids | MERKL GEORGE | 1976-05-18 | — | — | US | disclosed |