Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | MELK | Q14680 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL319546 | 0.85 | ROCK2 (0.47) | CYP1A2CYP3A4CYP2D6TSHRROCK2 | |
| SCHEMBL320404 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL6350323 | 0.75 | MELK (0.57) | CYP1A2CYP2C19CHEK1MELK | |
| SCHEMBL28286116 | 0.73 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL22915090 | 0.73 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL7285351 | 0.73 | ROCK2 (0.49) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL30903340 | 0.73 | ROCK2 (0.49) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL320821 | 0.72 | MAPK14 (0.48) | CYP1A2CYP3A4CYP2D6ALDH1A1HSD17B10 | |
| SCHEMBL14060119 | 0.71 | EPHX2 (0.54) | CYP1A2CYP3A4CYP2D6TSHRROCK2 | |
| SCHEMBL6354314 | 0.70 | MELK (0.52) | ROCK2ROCK1CHEK1MELK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2590946-A1 | BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES | Merck Patent GmbH (DE) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012003912-A1 | BIPYRIDYL DERIVATIVES USEFUL FOR THE TREATMENT OF KINASE - INDUCED DISEASES | MERCK PATENT GMBH (DE) | 2012-01-12 | — | — | WO | disclosed |