Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15292513 | 0.84 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL13542421 | 0.84 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL1615683 | 0.84 | CYP3A4 (0.36) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL23114345 | 0.81 | KDM4E (0.38) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL12423926 | 0.81 | KDM4E (0.38) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL23132323 | 0.81 | KDM4E (0.38) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL29325604 | 0.81 | CYP3A4 (0.35) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL19578756 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL23844624 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 | |
| SCHEMBL14543763 | 0.78 | SHBG (0.35) | CYP3A4CYP1A2CYP2D6KDM4EDRD2 |
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-9969724-B2 | Factor IXa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-05-15 | — | — | US | disclosed |