Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4840161 | 0.98 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19KCNH2NCF1 | |
| SCHEMBL12125059 | 0.80 | POLB (0.34) | — | |
| SCHEMBL442550 | 0.79 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19KCNH2NCF1 | |
| SCHEMBL15326795 | 0.77 | — | — | |
| SCHEMBL15040100 | 0.75 | NCF1 (0.44) | CYP3A4CYP2C9CYP2C19KCNH2NCF1 | |
| SCHEMBL14115913 | 0.74 | POLB (0.40) | — | |
| SCHEMBL16770070 | 0.74 | KDM4E (0.36) | — | |
| Hydrochloric Acid SCHEMBL1784451 | 0.73 | NCF1 (0.42) | CYP3A4CYP2C9CYP2C19KCNH2NCF1 | |
| SCHEMBL2667281 | 0.73 | POLB (0.36) | — | |
| SCHEMBL1861361 | 0.73 | POLB (0.33) | — |
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-1474425-B9 | DEAZAPURINES AND USES THEREOF | EISAI CO LTD (JP) | 2008-07-02 | — | — | EP | disclosed |
| EP-1474425-B1 | DEAZAPURINES AND USES THEREOF | EISAI CO LTD (JP) | 2006-05-24 | — | — | EP | disclosed |