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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | NNMT | P40261 | 2/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29598348 | 0.88 | — | — | |
| SCHEMBL331709 | 0.88 | — | — | |
| SCHEMBL1257257 | 0.84 | APLNR (0.40) | NNMTNOS3NOS2MCHR1XIAP | |
| SCHEMBL8151882 | 0.79 | NOS3 (0.42) | NOS3NOS2MCHR1XIAPBIRC2 | |
| SCHEMBL2780205 | 0.77 | ASIC3 (0.39) | TDP1NOS3NOS2MCHR1XIAP | |
| SCHEMBL28819041 | 0.77 | TDP1 (0.46) | POLBTDP1NNMTALDH1A1KDM4E | |
| SCHEMBL160602 | 0.77 | BTK (0.47) | POLBTDP1ALDH1A1KDM4EBTK | |
| SCHEMBL4707883 | 0.76 | XIAP (0.45) | NOS3NOS2MCHR1XIAPBIRC2 | |
| SCHEMBL28119837 | 0.76 | POLB (0.49) | POLBTDP1NNMTALDH1A1KDM4E | |
| SCHEMBL755699 | 0.75 | TDP1 (0.47) | POLBTDP1NNMTALDH1A1KDM4E |
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-104583195-B | Nitrogenous heteroaromatic ring derivative as tyrosine kinase inhibitor | 山东亨利医药科技有限责任公司 | 2018-08-17 | — | — | CN | disclosed |