Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | VEGFA | P15692 | 2/20 | 0.36 |
| ▸ | THRA | P10827 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.30 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.30 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL14570721 | 0.95 | CYP3A4 (0.41) | KCNH2CYP3A4CYP2C9CYP2C19THRA | |
| SCHEMBL5385784 | 0.90 | CYP3A4 (0.44) | KCNH2CYP3A4CYP2C9CYP2C19VEGFA | |
| SCHEMBL14570708 | 0.90 | KCNH2 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19VEGFA | |
| SCHEMBL5386025 | 0.90 | CYP3A4 (0.48) | KCNH2CYP3A4CYP2C9CYP2C19VEGFA | |
| SCHEMBL5377332 | 0.90 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19VEGFAEPAS1 | |
| SCHEMBL5375295 | 0.88 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19EPAS1IDH1 | |
| SCHEMBL5377805 | 0.82 | CYP3A4 (0.45) | KCNH2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5371174 | 0.82 | CYP3A4 (0.51) | CYP3A4THRATHRBSLC22A12 | |
| SCHEMBL14559753 | 0.81 | AR (0.39) | KCNH2CYP3A4CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL5370985 | 0.80 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19THRATHRB |
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 2 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 |