Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | APAF1 | O14727 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | FDPS | P14324 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PON1 | P27169 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28802050 | 0.92 | SMN1; SMN2 (0.46) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Acetic Acid SCHEMBL302143 | 0.90 | FDPS (0.45) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Acetic Acid SCHEMBL28087152 | 0.90 | SMN1; SMN2 (0.44) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Acetamide SCHEMBL1618619 | 0.90 | SMN1; SMN2 (0.44) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Bromide SCHEMBL193043 | 0.89 | — | — | |
| Oxalic Acid SCHEMBL17710444 | 0.89 | SMN1; SMN2 (0.47) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Bicarbonate SCHEMBL2936298 | 0.88 | FDPS (0.46) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Acetone SCHEMBL15135138 | 0.88 | FDPS (0.41) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| Water SCHEMBL4948875 | 0.87 | SMN1; SMN2 (0.57) | SMN1; SMN2MEN1HSP90AA1KMT2AAPAF1 | |
| SCHEMBL34729 | 0.87 | — | — |
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-110184398-B | Transparent leather and preparation method thereof | 福建农林大学 | 2021-12-28 | — | — | CN | disclosed |