Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 3/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | PTGFR | P43088 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22179997 | 1.00 | NAMPT (0.38) | NAMPTCTNNB1TCF7L2CYP2D6CYP2C19 | |
| SCHEMBL22180268 | 0.88 | NAMPT (0.39) | NAMPTCTNNB1TCF7L2CYP2D6CYP2C19 | |
| SCHEMBL22179704 | 0.88 | ADORA1 (0.39) | NAMPTCTNNB1TCF7L2CYP2D6CYP2C19 | |
| SCHEMBL28443353 | 0.83 | NAMPT (0.41) | NAMPTCTNNB1TCF7L2CYP2D6CYP2C19 | |
| SCHEMBL29831787 | 0.83 | NAMPT (0.41) | NAMPTCTNNB1TCF7L2CYP2D6CYP2C19 | |
| SCHEMBL22179952 | 0.83 | NAMPT (0.41) | NAMPTCTNNB1TCF7L2CYP2D6CYP2C19 | |
| SCHEMBL22180300 | 0.75 | ALDH1A1 (0.43) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL30738553 | 0.75 | ALDH1A1 (0.43) | CYP2D6CYP2C19CYP1A2CYP3A4CLK4 | |
| SCHEMBL22179733 | 0.75 | KMT2A (0.43) | NAMPTSMN1; SMN2 | |
| SCHEMBL22179990 | 0.72 | ADORA2A (0.38) | CLK4DYRK1AALDH1A1PTGFRHPGD |
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-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |