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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 4/20 | 0.35 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 4/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL3386019 | 0.86 | — | — | |
| Acetic Acid SCHEMBL725627 | 0.83 | — | — | |
| Acetone SCHEMBL28179372 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL8041533 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL391390 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL5668865 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL5828252 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL153745 | 0.82 | — | — | |
| Acetone SCHEMBL8041534 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL4909337 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1THPO |
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-20180162099-A1 | Curable Film-Forming Compositions Containing Lithium Silicates as Corrosion Inhibitors and Multilayer Coated Metal Substrates | PRC-DESOTO INTERNATIONAL, INC. | 2018-06-14 | — | — | US | disclosed |