Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SREBF2 | Q12772 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 18/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL616050 | 0.83 | SREBF2 (0.44) | SREBF2AAK1CYP17A1 | |
| SCHEMBL14691373 | 0.79 | SREBF2 (0.45) | SREBF2AAK1CYP17A1 | |
| SCHEMBL616979 | 0.78 | SREBF2 (0.41) | SREBF2AAK1CYP17A1 | |
| SCHEMBL2236912 | 0.77 | SREBF2 (0.39) | SREBF2AAK1CYP3A4CYP17A1 | |
| SCHEMBL2233338 | 0.77 | SREBF2 (0.40) | SREBF2AAK1CYP17A1 | |
| SCHEMBL616966 | 0.76 | SREBF2 (0.40) | SREBF2AAK1 | |
| SCHEMBL616816 | 0.75 | SREBF2 (0.38) | SREBF2AAK1 | |
| SCHEMBL15915400 | 0.75 | AAK1 (0.36) | AAK1CYP3A4 | |
| SCHEMBL615789 | 0.75 | SREBF2 (0.38) | SREBF2AAK1 | |
| SCHEMBL2236917 | 0.74 | SREBF2 (0.38) | SREBF2AAK1CYP3A4 |
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-2739628-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2014-06-11 | — | — | EP | disclosed |
| WO-2013022818-A1 | NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-14 | — | — | WO | disclosed |