Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ESRRG | P62508 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 2/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 4/20 | 0.34 |
| ▸ | SCN8A | Q9UQD0 | 3/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1543054 | 0.87 | CYP3A4 (0.44) | CD274CYP3A4ESRRGBTKNTRK1 | |
| SCHEMBL1542476 | 0.78 | CYP3A4 (0.44) | CD274CYP3A4BTKNTRK1SCN10A | |
| SCHEMBL2127612 | 0.74 | CYP3A4 (0.58) | CD274CYP3A4BTKSCN10ASCN8A | |
| SCHEMBL1542564 | 0.70 | CYP3A4 (0.43) | CD274CYP3A4BTKSCN10ASCN8A | |
| SCHEMBL1543460 | 0.69 | CYP3A4 (0.44) | CD274CYP3A4BTKABL1TP53 | |
| SCHEMBL2127468 | 0.69 | CYP3A4 (0.44) | CD274CYP3A4ACLYKDM4EALDH1A1 | |
| SCHEMBL1542657 | 0.69 | CYP3A4 (0.49) | CYP3A4BTKABL1TP53KDM4E | |
| SCHEMBL1542355 | 0.68 | CYP3A4 (0.43) | CD274CYP3A4BTKABL1KDM4E | |
| SCHEMBL2128285 | 0.68 | KDM4E (0.49) | CD274CYP3A4BTKKDM4EALDH1A1 | |
| SCHEMBL1542759 | 0.67 | CD274 (0.47) | CD274CYP3A4BTKTP53KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010010017-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-01-28 | — | — | WO | disclosed |