Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.71 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5368514 | 0.90 | CYP3A4 (0.80) | CYP3A4MEN1KMT2ATHRATHRB | |
| SCHEMBL5373725 | 0.89 | CYP3A4 (0.80) | CYP3A4THRATHRBMAOAMAOB | |
| SCHEMBL5369076 | 0.87 | CYP3A4 (0.67) | CYP3A4THRATHRBMAPTALDH1A1 | |
| SCHEMBL5375137 | 0.87 | CYP3A4 (0.67) | CYP3A4THRATHRBMAPTPOLB | |
| SCHEMBL5368912 | 0.85 | CYP3A4 (0.83) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5372475 | 0.83 | CYP3A4 (1.00) | CYP3A4MAPTALDH1A1AKR1B1 | |
| SCHEMBL5377729 | 0.82 | CYP3A4 (0.72) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5373808 | 0.82 | CYP3A4 (0.69) | CYP3A4THRATHRBAKR1B1 | |
| SCHEMBL5365374 | 0.82 | CYP3A4 (0.68) | CYP3A4THRATHRBMAPTALDH1A1 | |
| SCHEMBL5368780 | 0.82 | CYP3A4 (0.74) | CYP3A4KMT2ATHRATHRBALDH1A1 |
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 |