Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | PARP1 | P09874 | 4/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | NTRK3 | Q16288 | 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 | |
|---|---|---|---|---|
| SCHEMBL5377330 | 0.90 | CYP3A4 (0.52) | CYP3A4PARP1RAB9ANPC1 | |
| SCHEMBL5373711 | 0.88 | CYP3A4 (0.49) | CYP3A4PARP1RAB9ANPC1VNN1 | |
| SCHEMBL5371246 | 0.88 | CYP3A4 (0.48) | CYP3A4PARP1RAB9ANPC1ALDH1A1 | |
| SCHEMBL5368836 | 0.80 | CYP3A4 (0.64) | CYP3A4AHRHCAR2MAPT | |
| SCHEMBL5372475 | 0.79 | CYP3A4 (1.00) | CYP3A4PARP1AHRRAB9AVNN1 | |
| SCHEMBL5370322 | 0.78 | CYP3A4 (0.53) | CYP3A4PARP1ALDH1A1LMNAMAPT | |
| SCHEMBL7585620 | 0.77 | CYP3A4 (0.55) | CYP3A4PARP1AHRVNN1HCAR2 | |
| SCHEMBL5368939 | 0.76 | CYP3A4 (0.64) | CYP3A4AHRALDH1A1 | |
| SCHEMBL8905529 | 0.75 | CYP3A4 (0.53) | CYP3A4AHRRAB9ANPC1VNN1 | |
| SCHEMBL5374280 | 0.73 | CYP3A4 (0.50) | CYP3A4LMNA |
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 |