Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18667091 | 1.00 | CYP2A6 (0.45) | CYP2A6CYP3A4HRH4HRH3IRAK4 | |
| SCHEMBL4970560 | 0.75 | CYP2A6 (0.39) | CYP2A6CYP3A4 | |
| SCHEMBL19343962 | 0.75 | CYP2A6 (0.39) | CYP2A6CYP3A4 | |
| SCHEMBL19344220 | 0.75 | CYP2A6 (0.39) | CYP2A6CYP3A4 | |
| SCHEMBL18667150 | 0.75 | CYP2A6 (0.39) | CYP2A6CYP3A4 | |
| SCHEMBL23959828 | 0.74 | CYP2A6 (0.38) | CYP2A6 | |
| SCHEMBL18571687 | 0.73 | CYP2A6 (0.37) | CYP2A6 | |
| SCHEMBL20834954 | 0.73 | MAP4K4 (0.37) | CYP2A6 | |
| SCHEMBL23584545 | 0.73 | CYP2A6 (0.37) | CYP2A6 | |
| SCHEMBL18520482 | 0.68 | CYP2A6 (0.37) | CYP2A6 |
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-3695844-A1 | METHODS FOR TREATING NIPAH VIRUS INFECTIONS | Gilead Sciences, Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| EP-3212174-B1 | METHODS FOR TREATING FILOVIRIDAE VIRUS INFECTIONS | GILEAD SCIENCES INC (US) | 2018-05-16 | — | — | EP | disclosed |