Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | FNTA | P49354 | 2/20 | 0.40 |
| ▸ | FNTB | P49356 | 2/20 | 0.40 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.40 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
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 | 0.91 | CYP3A4 (0.41) | CYP3A4EPAS1CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL5370543 | 0.89 | CYP3A4 (0.46) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5364632 | 0.88 | CYP3A4 (0.47) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5373746 | 0.88 | KCNH2 (0.42) | CYP3A4EPAS1CYP2C9CYP2C19SLC22A12 | |
| SCHEMBL5377579 | 0.88 | CYP3A4 (0.52) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5370328 | 0.88 | CYP3A4 (0.47) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5374410 | 0.88 | CYP3A4 (0.49) | CYP3A4FNTAFNTBPGGT1BP2RX3 | |
| SCHEMBL5371174 | 0.86 | CYP3A4 (0.51) | CYP3A4SLC22A12 | |
| SCHEMBL5386025 | 0.86 | CYP3A4 (0.48) | CYP3A4P2RX3EPAS1CYP2C9CYP2C19 | |
| SCHEMBL5377332 | 0.86 | CYP3A4 (0.49) | CYP3A4EPAS1CYP2C9CYP2C19 |
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 |