Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CLK1 | P49759 | 1/20 | 0.46 |
| ▸ | KIT | P10721 | 2/20 | 0.44 |
| ▸ | RIPK2 | O43353 | 4/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21084064 | 0.91 | TGFBR1 (0.63) | TGFBR1ALDH1A1HPGDCLK1KIT | |
| SCHEMBL21085001 | 0.84 | TGFBR1 (0.54) | TGFBR1CLK1RIPK2CNR1CCNA2 | |
| SCHEMBL22955473 | 0.83 | TGFBR1 (0.54) | TGFBR1CLK1RIPK2CCNA2CDK2 | |
| SCHEMBL23872991 | 0.83 | TGFBR1 (0.54) | TGFBR1CLK1RIPK2CCNA2CDK2 | |
| SCHEMBL22955813 | 0.82 | TGFBR1 (0.53) | TGFBR1CLK1RIPK2CCNA2CDK2 | |
| SCHEMBL14145741 | 0.81 | CLK1 (0.61) | TGFBR1ALDH1A1HPGDCLK1KIT | |
| SCHEMBL21083424 | 0.81 | TGFBR1 (0.56) | TGFBR1ALDH1A1HPGDCLK1KIT | |
| SCHEMBL9130493 | 0.79 | CNR1 (0.56) | CNR1GPR55TP53 | |
| SCHEMBL15639804 | 0.78 | TGFBR1 (0.49) | TGFBR1CLK1RIPK2 | |
| SCHEMBL12789891 | 0.76 | CYP1A2 (0.55) | TGFBR1ALDH1A1HPGDCLK1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3492461-A1 | NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | Shanghai Yingli Pharmaceutical Co. Ltd. (CN) | 2019-06-05 | — | — | EP | disclosed |