Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TEAD1 | P28347 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.37 |
| ▸ | PRKCG | P05129 | 2/20 | 0.37 |
| ▸ | PRKCB | P05771 | 2/20 | 0.37 |
| ▸ | PRKCA | P17252 | 2/20 | 0.37 |
| ▸ | PRKCH | P24723 | 2/20 | 0.37 |
| ▸ | PRKCI | P41743 | 2/20 | 0.37 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.37 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.37 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5365456 | 0.89 | CYP3A4 (0.50) | CYP3A4TEAD1AKR1B1ALDH1A1KIF11 | |
| SCHEMBL5365375 | 0.88 | CYP3A4 (0.52) | CYP3A4AKR1B1ALDH1A1KIF11POLB | |
| SCHEMBL5365245 | 0.86 | CYP3A4 (0.49) | CYP3A4 | |
| SCHEMBL5371174 | 0.86 | CYP3A4 (0.51) | CYP3A4ALDH1A1L3MBTL1LMNAMEN1 | |
| SCHEMBL5413137 | 0.85 | CYP3A4 (0.50) | CYP3A4CYP1A2NPSR1LMNAMAPT | |
| SCHEMBL5370985 | 0.85 | CYP3A4 (0.48) | CYP3A4 | |
| SCHEMBL5368939 | 0.84 | CYP3A4 (0.64) | CYP3A4AKR1B1ALDH1A1CYP1A2 | |
| SCHEMBL5370972 | 0.84 | CYP3A4 (0.49) | CYP3A4 | |
| SCHEMBL5375295 | 0.82 | CYP3A4 (0.47) | CYP3A4 | |
| SCHEMBL14570721 | 0.76 | CYP3A4 (0.41) | CYP3A4 |
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 |