Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11236612 | 0.80 | TDP1 (0.48) | TDP1CYP2C19CYP2C9CYP1A2KDM4E | |
| SCHEMBL11237797 | 0.77 | TDP1 (0.37) | TDP1CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL11228573 | 0.74 | TDP1 (0.35) | TDP1CYP2C19CYP2C9CYP1A2KDM4E | |
| SCHEMBL8310112 | 0.73 | — | — | |
| SCHEMBL10938943 | 0.71 | CA12 (0.57) | TDP1CYP2C19CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL4159314 | 0.69 | MAPK1 (0.48) | CYP2C19CYP1A2CYP2D6MAPK1KDM4E | |
| SCHEMBL9159783 | 0.68 | CA12 (0.38) | TDP1CYP2C19CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL12296397 | 0.68 | TDP1 (0.56) | TDP1CYP2C19CYP2C9CYP1A2CYP2D6 | |
| SCHEMBL5167308 | 0.68 | PLA2G1B (0.36) | TDP1 | |
| SCHEMBL3132997 | 0.67 | CA12 (0.41) | TDP1CYP2C19CYP2C9CYP1A2KDM4E |
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-4326054-A | ANTIBIOTIC AND ANTITUMOR AGENT | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1982-04-20 | — | — | US | disclosed |