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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | FFAR2 | O15552 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9853999 | 0.99 | POLB (0.58) | POLBGAARAB9AALDH1A1KDM4E | |
| SCHEMBL9854093 | 0.84 | POLB (0.46) | POLBGAARAB9AALDH1A1KDM4E | |
| SCHEMBL23910562 | 0.84 | POLB (0.72) | POLBGAARAB9AALDH1A1KDM4E | |
| SCHEMBL5859631 | 0.84 | POLB (0.72) | POLBGAARAB9AALDH1A1KDM4E | |
| SCHEMBL4350452 | 0.84 | POLB (0.72) | POLBGAARAB9AALDH1A1KDM4E | |
| SCHEMBL9250005 | 0.83 | ALDH1A1 (0.54) | POLBALDH1A1KDM4E | |
| SCHEMBL9250009 | 0.83 | ALDH1A1 (0.54) | POLBALDH1A1KDM4E | |
| SCHEMBL8870492 | 0.82 | KDM4E (0.46) | POLBGAARAB9AALDH1A1KDM4E | |
| SCHEMBL3826056 | 0.82 | KDM4E (0.46) | POLBGAARAB9AALDH1A1KDM4E | |
| SCHEMBL9250150 | 0.82 | KDM4E (0.46) | POLBGAARAB9AALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1051178-A | New heterogeneous ring compound and preparation method thereof | YAMANOUCHI PHARMA CO LTD (JP) | 1991-05-08 | — | — | CN | disclosed |
| EP-0425134-A1 | Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1991-05-02 | — | — | EP | disclosed |