Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 9/20 | 0.47 |
| ▸ | NPC1 | O15118 | 8/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14249846 | 0.88 | SMN1; SMN2 (0.49) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL10994298 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL28895999 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL2910946 | 0.81 | CYP2E1 (0.67) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL12895004 | 0.79 | CYP2E1 (0.51) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL14405161 | 0.77 | CYP2E1 (0.50) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL1725165 | 0.77 | CYP2E1 (0.51) | CYP2C9CYP2C19CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL204155 | 0.77 | SMN1; SMN2 (0.46) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL15706809 | 0.76 | MAPK1 (0.51) | CYP2C9CYP2C19SMN1; SMN2MAPTMAPK1 | |
| SCHEMBL11747903 | 0.76 | CYP3A4 (0.36) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 |
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-106632061-B | Synthesis method of 1- (4-phenyl-1-alkyl-1H-imidazole-2-yl) ethanone and derivative thereof | 上海皓元医药股份有限公司 | 2020-07-24 | — | — | CN | disclosed |
| CN-106632061-A | Synthesis method of 1-(4-phenyl-1-alkyl-1H-imidazol-2-yl)ethanone and derivative thereof | 上海皓元医药股份有限公司 | 2017-05-10 | — | — | CN | disclosed |