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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 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 | |
|---|---|---|---|---|
| SCHEMBL7800680 | 0.86 | TSHR (0.37) | ALDH1A1CYP3A4SMN1; SMN2TP53MAPK1 | |
| SCHEMBL25411402 | 0.81 | TSHR (0.37) | ALDH1A1CYP3A4SMN1; SMN2TP53MAPK1 | |
| Acetic Acid SCHEMBL9219720 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP3A4SMN1; SMN2TP53MAPK1 | |
| SCHEMBL30039405 | 0.77 | TSHR (0.38) | ALDH1A1CYP3A4SMN1; SMN2TP53MAPK1 | |
| SCHEMBL30517291 | 0.77 | MAPT (0.39) | ALDH1A1CYP3A4SMN1; SMN2TP53MAPK1 | |
| Acrylic Acid SCHEMBL11433475 | 0.75 | LMNA (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53MAPK1 | |
| Acrylic Acid SCHEMBL11682546 | 0.75 | LMNA (0.50) | ALDH1A1CYP3A4SMN1; SMN2TP53MAPK1 | |
| SCHEMBL24603363 | 0.75 | TSHR (0.32) | ALDH1A1CYP3A4SMN1; SMN2TP53MAPK1 | |
| Acetic Acid SCHEMBL21634319 | 0.74 | — | — | |
| Acetic Acid SCHEMBL9339876 | 0.74 | MAPT (0.41) | ALDH1A1CYP3A4SMN1; SMN2MAPTABCC4 |
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 3 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 |
| 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 |