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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL4556468 | 0.84 | TSHR (0.41) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL9570536 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL45388 | 0.79 | TSHR (0.41) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL24603372 | 0.79 | TSHR (0.41) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Acrylic Acid SCHEMBL11433475 | 0.78 | LMNA (0.50) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Acrylic Acid SCHEMBL11682546 | 0.78 | LMNA (0.50) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL9264283 | 0.77 | ALDH1A1 (0.36) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Alcohol SCHEMBL7187474 | 0.77 | TSHR (0.35) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL813642 | 0.76 | FFAR3 (0.50) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 | |
| Acetic Acid SCHEMBL832778 | 0.76 | FFAR3 (0.50) | ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5466710-A | Heterobicycloalkanes as pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-11-14 | — | — | US | disclosed |
| EP-0300797-B1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-10-04 | — | — | EP | disclosed |
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| EP-0300797-A1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1989-01-25 | — | — | EP | disclosed |