Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | SELE | P16581 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PARP1 | P09874 | 5/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL5368522 | 0.88 | CYP3A4 (0.43) | CYP3A4KDM4EPARP1PRMT5WDR77 | |
| SCHEMBL5368691 | 0.76 | CYP3A4 (0.47) | CYP3A4PARP1PRMT5WDR77DAO | |
| SCHEMBL5375576 | 0.76 | PARP1 (0.39) | CYP3A4PARP1DAOSLC6A4HTR2A | |
| SCHEMBL14559738 | 0.75 | THRA (0.31) | CYP3A4PARP1DAO | |
| SCHEMBL5377396 | 0.74 | CYP3A4 (0.41) | CYP3A4PRMT5WDR77SLC6A4HTR2A | |
| SCHEMBL5365181 | 0.73 | CYP3A4 (0.67) | CYP3A4PRMT5WDR77SLC6A4SLC6A2 | |
| SCHEMBL5370255 | 0.70 | CYP3A4 (0.45) | CYP3A4KDM4EPARP1SLC6A4FAAH | |
| SCHEMBL4805444 | 0.69 | CYP3A4 (0.45) | CYP3A4SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL5374033 | 0.69 | CYP3A4 (0.41) | CYP3A4PARP1PRMT5WDR77SLC6A4 | |
| SCHEMBL5385763 | 0.69 | CYP3A4 (0.43) | CYP3A4PARP1PRMT5WDR77DAO |
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 |