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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6004329 | 0.83 | TSHR (0.40) | ALDH1A1TDP1TSHR | |
| SCHEMBL17772937 | 0.80 | HMGCR (0.44) | FFAR3ALDH1A1TDP1HMGCRCHRM1 | |
| Water SCHEMBL29144621 | 0.80 | TSHR (0.38) | TDP1TSHR | |
| Acetic Acid SCHEMBL9125501 | 0.75 | CHRM2 (0.34) | FFAR3LCKFYNCHRM1 | |
| Acetic Acid SCHEMBL3444362 | 0.74 | TSHR (0.57) | FFAR3LCKFYNALDH1A1TDP1 | |
| Acetic Acid SCHEMBL28164603 | 0.74 | TSHR (0.57) | FFAR3LCKFYNALDH1A1TDP1 | |
| Acetic Acid SCHEMBL31230457 | 0.73 | FFAR3 (0.32) | FFAR3LCKFYN | |
| Amylene Hydrate SCHEMBL6302374 | 0.71 | FFAR3 (0.47) | FFAR3LCKFYNALDH1A1TDP1 | |
| Acetic Acid SCHEMBL27552677 | 0.71 | FFAR3 (0.47) | FFAR3LCKFYNALDH1A1TDP1 | |
| Acetic Acid SCHEMBL28001021 | 0.71 | FFAR3 (0.47) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111500519-A | Method for triggering and strengthening arthrobacter to generate extracellular superoxide radical | 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) | 2020-08-07 | — | — | CN | disclosed |