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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 SCHEMBL8521559 | 1.00 | FFAR3 (0.44) | FFAR3LCKFYNALDH1A1TSHR | |
| SCHEMBL176385 | 0.90 | ALDH1A1 (0.35) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| Methylamine SCHEMBL28402560 | 0.88 | TSHR (0.35) | FFAR3ALDH1A1TSHRCYP2D6CYP2C19 | |
| SCHEMBL6394238 | 0.87 | ALDH1A1 (0.33) | ALDH1A1TSHRCYP2D6CYP2C19HIF1A | |
| SCHEMBL18265151 | 0.80 | TSHR (0.35) | FFAR3LCKFYNALDH1A1TSHR | |
| SCHEMBL39652 | 0.79 | FFAR3 (0.35) | FFAR3ALDH1A1TSHRCYP2D6CYP2C19 | |
| SCHEMBL3465123 | 0.79 | FFAR3 (0.35) | FFAR3ALDH1A1TSHRCYP2D6CYP2C19 | |
| SCHEMBL1683780 | 0.79 | FFAR3 (0.35) | FFAR3ALDH1A1TSHRCYP2D6CYP2C19 | |
| Acetic Acid SCHEMBL28895099 | 0.78 | FFAR3 (0.47) | FFAR3LCKFYNALDH1A1TSHR | |
| SCHEMBL833074 | 0.78 | ARG1 (0.32) | ALDH1A1TSHRACLYTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-5077397-A | SIALIC ACID DERIVATIVE WITH ACTIVE ESTER GROUPS | MECT CORPORATION (JP) | 1991-12-31 | — | — | US | disclosed |
| EP-0371495-A2 | Sialic acid derivative with active ester groups | MECT CORPORATION (JP) | 1990-06-06 | — | — | EP | disclosed |