Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.35 |
| ▸ | VEGFA | P15692 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | HAO1 | Q9UJM8 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14570776 | 0.91 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5372639 | 0.90 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5365033 | 0.84 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL14570716 | 0.84 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5364923 | 0.78 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5382037 | 0.77 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5370328 | 0.77 | CYP3A4 (0.47) | CYP3A4THRATHRBEPAS1PRMT5 | |
| SCHEMBL5377018 | 0.76 | THRA (0.44) | CYP3A4CYP2C9CYP2C19THRATHRB | |
| SCHEMBL5374302 | 0.76 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19EPAS1PRMT5 | |
| SCHEMBL5368884 | 0.75 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19THRATHRB |
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-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |