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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL36288 | 0.89 | TSHR (0.56) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| Alcohol SCHEMBL28053629 | 0.88 | TSHR (0.56) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| Vinyl Ether SCHEMBL28910374 | 0.84 | TSHR (0.51) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| SCHEMBL31651466 | 0.84 | TSHR (0.50) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| SCHEMBL28805648 | 0.83 | TSHR (0.50) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| SCHEMBL15922431 | 0.82 | TSHR (0.49) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| SCHEMBL11798971 | 0.82 | TSHR (0.49) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| SCHEMBL15361686 | 0.81 | TSHR (0.49) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| Acetic Acid SCHEMBL7697223 | 0.80 | CYP3A4 (0.58) | TSHRCYP3A4TDP1ATML3MBTL1 | |
| Acrylic Acid SCHEMBL28806929 | 0.80 | TSHR (0.64) | TSHRCYP3A4TDP1ATML3MBTL1 |
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-105453306-B | Binder for nonaqueous electricity storage element and nonaqueous electricity storage element | 协立化学产业株式会社 | 2018-02-13 | — | — | CN | disclosed |