Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 6/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | NPBWR1 | P48145 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377018 | 0.89 | THRA (0.44) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5367059 | 0.86 | CYP3A4 (0.48) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5372639 | 0.85 | CYP3A4 (0.47) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5364923 | 0.80 | CYP3A4 (0.60) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5382037 | 0.79 | CYP3A4 (0.56) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5364856 | 0.78 | CYP3A4 (0.47) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5411581 | 0.76 | CYP3A4 (0.41) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5364622 | 0.75 | CYP3A4 (0.43) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5365393 | 0.75 | CYP3A4 (0.47) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5370372 | 0.74 | CYP3A4 (0.40) | THRATHRBCYP3A4CYP2C9CYP2C19 |
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 |