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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | PTPRC | P08575 | 1/20 | 0.43 |
| ▸ | S100A4 | P26447 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10897124 | 0.94 | NPC1 (0.57) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10898681 | 0.81 | MAPT (0.49) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9324750 | 0.80 | NPC1 (0.62) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| Acetic Acid SCHEMBL10898669 | 0.80 | MMP12 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL10897976 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| Acetic Acid SCHEMBL10899033 | 0.78 | TSHR (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL10449003 | 0.76 | FOLH1 (0.48) | ALDH1A1MAPTPTPN1 | |
| SCHEMBL27839817 | 0.75 | FFAR1 (0.56) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL26190669 | 0.75 | NPC1 (0.70) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27772234 | 0.74 | NPC1 (0.63) | ALDH1A1MAPTNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4581377-A | ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS | NIPPON SHINYAKU CO., LTD. (JP) | 1986-04-08 | — | — | US | disclosed |