Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.37 |
| ▸ | CDC25A | P30304 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | LYN | P07948 | 2/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1764609 | 0.94 | CYP3A4 (0.53) | CYP3A4MAPK14ABL1PIK3CDCDC25A | |
| SCHEMBL1542369 | 0.88 | CYP3A4 (0.65) | CYP3A4MAPK14ABL1CDK9MAPK10 | |
| SCHEMBL1542876 | 0.86 | CYP3A4 (0.58) | CYP3A4MAPK14CRBNTRPV1 | |
| SCHEMBL1542928 | 0.85 | CYP3A4 (0.44) | CYP3A4ABL1CDC25ACDC25B | |
| SCHEMBL2129460 | 0.85 | CYP3A4 (0.59) | CYP3A4MAPK14ABL1CRBNMAPK10 | |
| SCHEMBL2127612 | 0.85 | CYP3A4 (0.58) | CYP3A4MAPK14ABL1CRBNTRPV1 | |
| SCHEMBL2128872 | 0.84 | CYP3A4 (0.57) | CYP3A4MAPK14ABL1CRBNTRPV1 | |
| SCHEMBL1542597 | 0.83 | CYP3A4 (0.57) | CYP3A4MAPK14CRBNTRPV1 | |
| SCHEMBL1542475 | 0.83 | CYP3A4 (0.56) | CYP3A4MAPK14CRBN | |
| SCHEMBL2128420 | 0.82 | CYP3A4 (0.53) | CYP3A4MAPK14LYNMAPK9BRAF |
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-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |
| EP-2307372-A1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2011-04-13 | — | — | EP | claimed |