Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | F12 | P00748 | 1/20 | 0.30 |
| ▸ | PLAU | P00749 | 1/20 | 0.30 |
| ▸ | NCF1 | P14598 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL6161612 | 0.75 | ROCK1 (0.47) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL18300458 | 0.60 | ROCK1 (0.45) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL6162601 | 0.60 | ROCK1 (0.45) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL6161145 | 0.60 | ROCK1 (0.41) | PDPK1F12PLAUNCF1NOS3 | |
| SCHEMBL6163883 | 0.59 | NOS3 (0.41) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL24493428 | 0.55 | MAP4K1 (0.38) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL509491 | 0.55 | NPC1 (0.43) | SYK | |
| SCHEMBL14931471 | 0.55 | ALDH1A1 (0.59) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL29508482 | 0.55 | ALDH1A1 (0.59) | F12PLAUNCF1NOS3NOS1 | |
| SCHEMBL509564 | 0.55 | ADORA2A (0.47) | — |
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-1175419-B1 | ARYL SULFONYLS AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-05-28 | — | — | EP | claimed |