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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Methoxymethane SCHEMBL11545279 | 0.75 | — | — | |
| Acetic Acid SCHEMBL27972688 | 0.73 | — | — | |
| SCHEMBL26915233 | 0.71 | — | — | |
| Acetic Acid SCHEMBL27623967 | 0.69 | — | — | |
| Propanol SCHEMBL31488643 | 0.69 | LMNA (0.32) | — | |
| Acetic Acid SCHEMBL28843588 | 0.66 | FFAR3 (0.64) | FFAR3LCKFYNTP53 | |
| Acetic Acid SCHEMBL574619 | 0.66 | FFAR3 (0.64) | FFAR3LCKFYNTP53 | |
| Acetic Acid SCHEMBL18528147 | 0.66 | — | — | |
| Acetic Acid SCHEMBL9659096 | 0.66 | FFAR3 (0.64) | FFAR3LCKFYNTP53 | |
| Acetic Acid SCHEMBL174567 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-57045142-A | — | — | None | — | — | JP | disclosed |
| JP-S5745142-A | PREPARATION OF XYLYLENE GLYCOL SUBSTITUTION PRODUCT | SHOWA DENKO KK | 1982-03-13 | — | — | JP | disclosed |