Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ESRRB | O95718 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESRRA | P11474 | 1/20 | 0.33 |
| ▸ | ESRRG | P62508 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.33 |
| ▸ | S100A9 | P06702 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5370850 | 0.91 | CYP3A4 (0.42) | CYP3A4TRPV4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL5373721 | 0.86 | CYP3A4 (0.39) | CYP3A4KCNH2CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL5377021 | 0.86 | AR (0.41) | CYP3A4KCNH2CYP2C9CYP2C19ESRRA | |
| SCHEMBL14559753 | 0.85 | AR (0.39) | CYP3A4TRPV4KCNH2CYP2C9CYP2C19 | |
| SCHEMBL5374211 | 0.85 | CYP3A4 (0.38) | CYP3A4KCNH2CYP2C9CYP2C19ESRRA | |
| SCHEMBL5365226 | 0.84 | SLC22A12 (0.40) | CYP3A4KCNH2CYP2C9CYP2C19ESRRA | |
| SCHEMBL5374946 | 0.84 | CYP3A4 (0.42) | CYP3A4KDRARNTRK1DAO | |
| SCHEMBL5373732 | 0.84 | CYP3A4 (0.45) | CYP3A4KCNH2CYP2C9CYP2C19AR | |
| SCHEMBL5375891 | 0.83 | CYP3A4 (0.38) | CYP3A4KCNH2CYP2C9CYP2C19ESRRA | |
| SCHEMBL5366785 | 0.83 | AR (0.41) | CYP3A4KCNH2CYP2C9CYP2C19ESRRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |