Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12330415 | 0.87 | GRM2 (0.42) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL12331434 | 0.80 | TP53 (0.36) | ALOX15 | |
| SCHEMBL4620338 | 0.69 | — | — | |
| SCHEMBL5465093 | 0.69 | PTGS2 (0.33) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL5321758 | 0.69 | PTGS2 (0.33) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL29511172 | 0.68 | GRM2 (0.41) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL25367647 | 0.67 | CYP1A2 (0.47) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL16803399 | 0.65 | GRM2 (0.41) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL750971 | 0.64 | ALOX15 (0.43) | GRM2GRM3CYP1A2ALOX15 | |
| SCHEMBL6120873 | 0.64 | CYP1A2 (0.43) | GRM2GRM3CYP1A2ALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1917269-B1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMA (US) | 2011-10-26 | — | — | EP | disclosed |
| EP-2364984-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2007025307-A2 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-03-01 | — | — | WO | disclosed |