Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9671188 | 0.86 | PDE7A (0.48) | PDE7APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15816923 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL15816924 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL13747380 | 0.80 | SMN1; SMN2 (0.60) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL15818887 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL7016334 | 0.74 | ELANE (0.46) | KDM4EPDE7APDE4APDE4BPDE4C | |
| SCHEMBL29110437 | 0.73 | HSD17B10 (0.69) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL30089887 | 0.73 | HSD17B10 (0.69) | CYP1A2CYP2D6CYP2C9CYP2C19KDM4E | |
| SCHEMBL15818770 | 0.73 | CHEK1 (0.42) | CYP1A2CYP2D6CYP2C9CYP2C19PDE7A | |
| SCHEMBL29154635 | 0.71 | HSD17B10 (0.75) | CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009102537-A1 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2009-08-20 | — | — | WO | disclosed |
| WO-2009102537-A1 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2009-08-20 | — | — | WO | disclosed |