Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6531053 | 0.78 | ROCK2 (0.46) | CDC7CYP1A2CYP2D6CYP2C9CLK4 | |
| SCHEMBL6529438 | 0.71 | CLK4 (0.43) | CDC7CYP1A2CYP2D6CYP2C9CLK4 | |
| SCHEMBL22595054 | 0.71 | CCNT1 (0.48) | ABL1BCRSLC2A1 | |
| SCHEMBL26028314 | 0.68 | EGFR (0.47) | JAK1JAK3JAK2 | |
| SCHEMBL6531231 | 0.68 | ROCK2 (0.47) | ADORA2AJAK3IRAK4 | |
| SCHEMBL30728059 | 0.67 | CDC7 (0.64) | CDC7CYP1A2MAPK1ALDH1A1TRPM5 | |
| SCHEMBL15344154 | 0.66 | TRPA1 (0.46) | CDC7TRPM5 | |
| SCHEMBL4114729 | 0.66 | USP2 (0.62) | CYP1A2CYP2D6CLK4USP2ALDH1A1 | |
| SCHEMBL15189081 | 0.66 | CDC7 (0.56) | CDC7CYP1A2ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL4103830 | 0.65 | CCNT1 (0.55) | CYP1A2CYP2D6CYP2C9CLK4MAPK1 |
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 |