Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.76 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368780 | 0.89 | CYP3A4 (0.74) | CYP3A4AKR1B1CYP1A2CYP2C19THRA | |
| SCHEMBL5368514 | 0.89 | CYP3A4 (0.80) | CYP3A4RAB9ANPC1CYP1A2CYP2D6 | |
| SCHEMBL5368912 | 0.87 | CYP3A4 (0.83) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5372475 | 0.86 | CYP3A4 (1.00) | CYP3A4AKR1B1RAB9ACYP2C19MAPT | |
| SCHEMBL5373725 | 0.83 | CYP3A4 (0.80) | CYP3A4CYP1A2THRATHRBL3MBTL1 | |
| SCHEMBL5365374 | 0.81 | CYP3A4 (0.68) | CYP3A4AKR1B1RAB9ANPC1THRA | |
| SCHEMBL5365060 | 0.81 | CYP3A4 (0.71) | CYP3A4AKR1B1NPC1HTTTHRA | |
| SCHEMBL5377729 | 0.80 | CYP3A4 (0.72) | CYP3A4AKR1B1THRATHRB | |
| SCHEMBL5375137 | 0.78 | CYP3A4 (0.67) | CYP3A4CYP1A2CYP2C9THRATHRB | |
| SCHEMBL5369076 | 0.78 | CYP3A4 (0.67) | CYP3A4THRATHRBMAPTALDH1A1 |
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 |