Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 15/20 | 0.49 |
| ▸ | CASP9 | P55211 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | BIRC2 | Q13490 | 5/20 | 0.38 |
| ▸ | BIRC3 | Q13489 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2632208 | 0.85 | XIAP (0.49) | XIAPCASP9CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2117250 | 0.85 | XIAP (0.49) | XIAPCASP9CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2115163 | 0.84 | XIAP (0.42) | XIAPCYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL2632124 | 0.83 | XIAP (0.48) | XIAPCASP9CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2113168 | 0.82 | XIAP (0.46) | XIAPCASP9CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2632123 | 0.82 | XIAP (0.46) | XIAPCASP9CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL23847519 | 0.81 | XIAP (0.45) | XIAPCASP9CYP3A4CYP2C9KDM4E | |
| SCHEMBL2631846 | 0.81 | XIAP (0.45) | XIAPCASP9CYP3A4CYP2C9KDM4E | |
| SCHEMBL13048262 | 0.81 | XIAP (0.45) | XIAPCASP9CYP3A4CYP2C9KDM4E | |
| SCHEMBL2113161 | 0.81 | XIAP (0.45) | XIAPCASP9CYP3A4CYP2C9KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8481495-B2 | IAP inhibitors | TETRALOGIC PHARMACEUTICALS CORPORATION (US) | 2013-07-09 | — | — | US | disclosed |