Known targets — ChEMBL curated mechanism
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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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 SCHEMBL4797408 | 0.96 | ALDH1A1 (0.43) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL2407511 | 0.96 | — | — | |
| Acetone SCHEMBL5145739 | 0.96 | LMNA (0.50) | ALDH1A1TSHRLMNATDP1CES1 | |
| Acetone SCHEMBL2169438 | 0.92 | — | — | |
| Acetone SCHEMBL10911400 | 0.92 | LMNA (0.46) | ALDH1A1TSHRLMNATDP1CES1 | |
| Acetic Acid SCHEMBL10644131 | 0.89 | FFAR3 (0.50) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL28179372 | 0.88 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL4414746 | 0.88 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL8041533 | 0.88 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1THPO | |
| Acetone SCHEMBL8107245 | 0.88 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101073044-A | Fuel cartridge with an environmentally sensitive valve | BIC SOC (FR) | 2007-11-14 | — | — | CN | disclosed |
| US-4245037-A | FOGGING AGENT | FUJI PHOTO FILM CO., LTD. (JP) | 1981-01-13 | — | — | US | disclosed |