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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 3/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL662803 | 0.87 | — | — | |
| Propionic Acid SCHEMBL11482864 | 0.85 | FFAR3 (0.59) | FFAR3ALDH1A1TDP1GRIK1GRIK2 | |
| SCHEMBL30668862 | 0.83 | — | — | |
| Acetic Acid SCHEMBL10903251 | 0.81 | FFAR3 (0.44) | FFAR3LCKFYNALDH1A1TDP1 | |
| Bicarbonate SCHEMBL9752391 | 0.75 | KDM4E (0.41) | FFAR3LCKFYNALDH1A1TDP1 | |
| Acetic Acid SCHEMBL4855776 | 0.75 | FFAR3 (0.38) | FFAR3LCKFYNALDH1A1TDP1 | |
| Acetic Acid SCHEMBL696493 | 0.73 | ALDH1A1 (0.50) | FFAR3LCKFYNALDH1A1TDP1 | |
| Acetic Acid SCHEMBL10501034 | 0.73 | — | — | |
| Acetic Acid SCHEMBL696492 | 0.73 | ALDH1A1 (0.50) | FFAR3LCKFYNALDH1A1TDP1 | |
| Acetic Acid SCHEMBL7533517 | 0.73 | ALDH1A1 (0.50) | FFAR3LCKFYNALDH1A1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0009741-A1 | Process for the preparation of butenediol diesters | BASF Aktiengesellschaft (DE) | 1980-04-16 | — | — | EP | claimed |
| EP-0009741-A1 | Process for the preparation of butenediol diesters | BASF Aktiengesellschaft (DE) | 1980-04-16 | — | — | EP | disclosed |