Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL154099 | 0.68 | NOS3 (0.32) | NOS3NOS1NOS2NPC1HSP90AA1 | |
| SCHEMBL18122765 | 0.68 | — | — | |
| SCHEMBL2910235 | 0.65 | KDM4E (0.41) | NOS3NOS1NOS2NPC1HSP90AA1 | |
| SCHEMBL4849997 | 0.60 | TSHR (0.39) | — | |
| SCHEMBL14935528 | 0.59 | ALDH1A1 (0.40) | NOS3NOS1NOS2NPC1HSP90AA1 | |
| SCHEMBL28526903 | 0.59 | ALDH1A1 (0.40) | NOS3NOS1NOS2NPC1HSP90AA1 | |
| SCHEMBL28420418 | 0.59 | ALDH1A1 (0.40) | NOS3NOS1NOS2NPC1HSP90AA1 | |
| SCHEMBL20516698 | 0.59 | ALDH1A1 (0.40) | NOS3NOS1NOS2NPC1HSP90AA1 | |
| SCHEMBL111141 | 0.57 | — | — | |
| SCHEMBL14127194 | 0.57 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2574610-A1 | Inhibitors of human immonodeficiency virus replication | GILEAD SCIENCES, INC. (US) | 2013-04-03 | — | — | EP | disclosed |