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 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10994298 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL28138015 | 0.81 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL2910946 | 0.81 | CYP2E1 (0.67) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL28714930 | 0.80 | HPGDS (0.64) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL11443392 | 0.80 | MAP4K4 (0.49) | ALDH1A1KDM4EMAP4K4RAB9ASMN1; SMN2 | |
| SCHEMBL12895004 | 0.79 | CYP2E1 (0.51) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL27368362 | 0.78 | MAP4K4 (0.39) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL14405161 | 0.77 | CYP2E1 (0.50) | CYP3A4CYP2C9CYP2C19CYP2E1CYP2A6 | |
| SCHEMBL6421705 | 0.77 | TLR8 (0.39) | ALDH1A1KDM4EMAP4K4RAB9ANPC1 | |
| SCHEMBL6421708 | 0.77 | TLR8 (0.42) | ALDH1A1KDM4EMAP4K4PHF8TLR8 |
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-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 |