Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | THRA | P10827 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.34 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | TTR | P02766 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5377627 | 0.88 | CYP3A4 (0.64) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5375017 | 0.85 | CYP3A4 (0.51) | CYP3A4THRATHRBDAOAKR1B1 | |
| SCHEMBL5370985 | 0.85 | CYP3A4 (0.48) | CYP3A4THRATHRBDAOTTR | |
| SCHEMBL4367667 | 0.85 | CYP3A4 (0.53) | CYP3A4THRATHRBDAOMEN1 | |
| SCHEMBL5370328 | 0.85 | CYP3A4 (0.47) | CYP3A4THRATHRB | |
| SCHEMBL5370472 | 0.84 | CYP3A4 (0.48) | CYP3A4THRATHRBDAOMEN1 | |
| SCHEMBL5365424 | 0.84 | CYP3A4 (0.48) | CYP3A4TTRTSHRCYP2C9CYP2C19 | |
| SCHEMBL5369110 | 0.82 | DAO (0.39) | CYP3A4THRATHRBDAOMEN1 | |
| SCHEMBL5366909 | 0.82 | CYP3A4 (0.46) | CYP3A4THRATHRBDAONTRK1 | |
| SCHEMBL5377193 | 0.81 | CYP3A4 (0.50) | CYP3A4DAOAKR1B1CYP2C9CYP2C19 |
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 |