Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6531053 | 0.80 | ROCK2 (0.46) | CLK4CYP1A2CYP2D6CYP2C9MEN1 | |
| SCHEMBL6530160 | 0.71 | CDC7 (0.47) | CLK4CYP1A2CYP2D6CYP2C9MEN1 | |
| SCHEMBL6531231 | 0.70 | ROCK2 (0.47) | ADORA2AROCK1ROCK2JAK3PRKCD | |
| SCHEMBL4103830 | 0.70 | CCNT1 (0.55) | CLK4CYP1A2CYP2D6CYP2C9MEN1 | |
| SCHEMBL6530951 | 0.68 | MKNK1 (0.51) | ROCK2JAK3KDRCDC7MAPKAPK2 | |
| SCHEMBL6530116 | 0.67 | TNIK (0.46) | CLK4CYP1A2CYP2D6CYP2C9MEN1 | |
| SCHEMBL12287730 | 0.66 | JAK2 (0.41) | CLK4MAPK1DYRK1AROCK1LIMK1 | |
| SCHEMBL6531731 | 0.66 | TNIK (0.49) | ROCK2JAK3BACE1KDRCDC7 | |
| SCHEMBL4808322 | 0.66 | PRMT5 (0.57) | AURKB | |
| SCHEMBL6528748 | 0.66 | RET (0.48) | CLK4CYP1A2CYP2D6ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005103036-A1 | PYRIMIDIN-4-YL-1H-INDAZOL-5YL-AMINES AS CHK1 KINASES INHIBITORS | BIOFOCUS DISCOVERY LTD (GB) | 2005-11-03 | — | — | WO | claimed |