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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 8/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.31 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 3/20 | 0.30 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.30 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.30 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 SCHEMBL10651012 | 0.87 | ALDH1A1 (0.53) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acetic Acid SCHEMBL28201805 | 0.84 | FFAR3 (0.50) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acrylamide SCHEMBL28271793 | 0.82 | TSHR (0.58) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acetic Acid SCHEMBL27293783 | 0.81 | FFAR3 (0.41) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acetic Acid SCHEMBL27612955 | 0.81 | FFAR3 (0.41) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acetic Acid SCHEMBL27632685 | 0.81 | FFAR3 (0.41) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acetic Acid SCHEMBL10933237 | 0.81 | FFAR3 (0.41) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acetic Acid SCHEMBL27924956 | 0.81 | FFAR3 (0.54) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acetic Acid SCHEMBL927346 | 0.81 | FFAR3 (0.54) | ALDH1A1LMNAFFAR3LCKFYN | |
| Acetic Acid SCHEMBL11464428 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109803693-A | Medical instrument | 先健科技(深圳)有限公司 | 2019-05-24 | — | — | CN | disclosed |