Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | THRA | P10827 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | SOD1 | P00441 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5364856 | 0.88 | CYP3A4 (0.47) | CYP3A4THRATHRBCYP2C9CYP2C19 | |
| SCHEMBL5370372 | 0.87 | CYP3A4 (0.40) | CYP3A4THRATHRBCYP2C9CYP2C19 | |
| SCHEMBL14559703 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C9CYP2C19NPBWR1HTR2A | |
| SCHEMBL5377018 | 0.79 | THRA (0.44) | CYP3A4THRATHRBCYP2C9CYP2C19 | |
| SCHEMBL5364926 | 0.78 | CYP3A4 (0.54) | CYP3A4THRATHRBHTR2ASLC6A4 | |
| SCHEMBL5411581 | 0.76 | CYP3A4 (0.41) | CYP3A4THRATHRBCYP2C9CYP2C19 | |
| SCHEMBL5367059 | 0.74 | CYP3A4 (0.48) | CYP3A4THRATHRBCYP2C9CYP2C19 | |
| SCHEMBL5370972 | 0.74 | CYP3A4 (0.49) | CYP3A4THRATHRBSOD1ADORA2A | |
| SCHEMBL14570716 | 0.73 | CYP3A4 (0.60) | CYP3A4THRATHRBCYP2C9CYP2C19 | |
| SCHEMBL5365045 | 0.73 | CYP3A4 (0.44) | CYP3A4THRATHRBCYP2C9CYP2C19 |
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 |