Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetone. 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 | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL27258686 | 0.92 | — | — | |
| Acetone SCHEMBL5668865 | 0.88 | ALDH1A1 (0.60) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| Acetone SCHEMBL8041534 | 0.88 | ALDH1A1 (0.60) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| Acetone SCHEMBL8107245 | 0.88 | ALDH1A1 (0.60) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| Acetone SCHEMBL4414746 | 0.88 | ALDH1A1 (0.60) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| Acetone SCHEMBL153745 | 0.88 | — | — | |
| Acetone SCHEMBL391390 | 0.88 | ALDH1A1 (0.60) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| Acetone SCHEMBL4909337 | 0.88 | ALDH1A1 (0.60) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| Acetone SCHEMBL8041533 | 0.88 | ALDH1A1 (0.60) | TRPA1ALDH1A1TSHRLMNATDP1 | |
| Acetone SCHEMBL5828252 | 0.88 | ALDH1A1 (0.60) | TRPA1ALDH1A1TSHRLMNATDP1 |
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-108349968-A | antibacterial therapeutic and prophylactic agents | 维奥梅生物科学私人有限公司 | 2018-07-31 | — | — | CN | disclosed |