Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368691 | 0.78 | CYP3A4 (0.47) | CYP3A4PARP1SLC6A4TSHR | |
| SCHEMBL5365181 | 0.77 | CYP3A4 (0.67) | CYP3A4SLC6A4 | |
| SCHEMBL5368522 | 0.73 | CYP3A4 (0.43) | CYP3A4PARP1SLC6A4KDM4EFAAH | |
| SCHEMBL1344956 | 0.72 | CYP3A4 (0.47) | CYP3A4SLC6A4 | |
| SCHEMBL4805444 | 0.71 | CYP3A4 (0.45) | CYP3A4SLC6A4TSHRALDH1A1POLB | |
| SCHEMBL5374033 | 0.71 | CYP3A4 (0.41) | CYP3A4PARP1SLC6A4TSHR | |
| SCHEMBL5385763 | 0.70 | CYP3A4 (0.43) | CYP3A4PARP1TSHRNPC1 | |
| SCHEMBL5375026 | 0.70 | CYP3A4 (0.46) | CYP3A4PARP1SLC6A4TSHR | |
| SCHEMBL5373478 | 0.70 | CYP3A4 (0.38) | CYP3A4PARP1SLC6A4TSHR | |
| SCHEMBL5381953 | 0.70 | CYP3A4 (0.38) | CYP3A4PARP1SLC6A4TSHR |
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 |