Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SOD1 | P00441 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL5364856 | 0.90 | CYP3A4 (0.47) | THRATHRBCYP3A4AKR1B1CYP2C9 | |
| SCHEMBL5373847 | 0.89 | THRA (0.44) | THRATHRBCYP3A4AKR1B1CYP2C9 | |
| SCHEMBL5372639 | 0.87 | CYP3A4 (0.47) | THRATHRBCYP3A4AKR1B1CYP2C9 | |
| SCHEMBL5373738 | 0.79 | CYP3A4 (0.41) | THRATHRBCYP3A4AKR1B1CYP2C9 | |
| SCHEMBL5364923 | 0.79 | CYP3A4 (0.60) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5382037 | 0.77 | CYP3A4 (0.56) | THRATHRBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5377219 | 0.76 | CYP3A4 (0.42) | THRATHRBCYP3A4AKR1B1CYP2C9 | |
| SCHEMBL5367059 | 0.76 | CYP3A4 (0.48) | THRATHRBCYP3A4AKR1B1CYP2C9 | |
| SCHEMBL5377473 | 0.75 | CYP3A4 (0.52) | THRATHRBCYP3A4AKR1B1SOD1 | |
| SCHEMBL14570716 | 0.75 | CYP3A4 (0.60) | THRATHRBCYP3A4AKR1B1CYP2C9 |
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 |