Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | BID | P55957 | 3/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.35 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.35 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.35 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2346860 | 0.87 | CYP3A4 (0.50) | CYP3A4GABRA1GABRB2CYP2D6CYP2C9 | |
| SCHEMBL993745 | 0.85 | CYP3A4 (0.51) | CYP3A4GABRA1GABRB2CYP2D6CYP2C9 | |
| SCHEMBL29651833 | 0.85 | CYP3A4 (0.51) | CYP3A4GABRA1GABRB2CYP2D6CYP2C9 | |
| SCHEMBL23522251 | 0.84 | CYP3A4 (0.70) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL1551949 | 0.83 | CYP3A4 (0.57) | CYP3A4GABRA1GABRB2CYP2D6CYP2C9 | |
| SCHEMBL10965705 | 0.82 | CYP3A4 (0.45) | CYP3A4GABRA1GABRB2CYP2D6CYP2C9 | |
| SCHEMBL6419136 | 0.81 | CYP3A4 (0.70) | CYP3A4GABRA1GABRB2TRPA1 | |
| SCHEMBL10971614 | 0.80 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2CYP2D6CYP2C9 | |
| SCHEMBL2350176 | 0.80 | CYP3A4 (0.46) | CYP3A4GABRA1GABRB2CYP2D6CYP2C9 | |
| SCHEMBL17847485 | 0.79 | CYP3A4 (0.43) | CYP3A4GABRA1GABRB2CYP2D6CYP2C9 |
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-2009003669-A2 | PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT | 4 AZA IP NV (BE) | 2009-01-08 | — | — | WO | disclosed |