Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | THRA | P10827 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 3/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL5373999 | 0.92 | CYP3A4 (0.48) | CYP3A4THRATHRBFABP4FAAH | |
| SCHEMBL5375382 | 0.88 | CYP3A4 (0.45) | CYP3A4THRATHRBALDH1A1MAOA | |
| SCHEMBL5377730 | 0.88 | CYP3A4 (0.45) | CYP3A4THRATHRBALDH1A1MAOA | |
| SCHEMBL5375418 | 0.87 | CYP3A4 (0.60) | CYP3A4THRATHRBALDH1A1FAAH | |
| SCHEMBL5367047 | 0.83 | CYP3A4 (0.54) | CYP3A4ALDH1A1FAAH | |
| SCHEMBL5421210 | 0.81 | CYP3A4 (0.48) | CYP3A4THRATHRBFABP4 | |
| SCHEMBL5368755 | 0.80 | CYP3A4 (0.47) | CYP3A4THRATHRBALDH1A1FAAH | |
| SCHEMBL5374014 | 0.80 | CYP3A4 (0.48) | CYP3A4THRATHRBALDH1A1FAAH | |
| SCHEMBL5375921 | 0.80 | CYP3A4 (0.48) | CYP3A4THRATHRBFAAHAKR1B1 | |
| SCHEMBL5365171 | 0.78 | CYP3A4 (0.49) | CYP3A4THRATHRBFABP4SMN1; SMN2 |
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 |