Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.34 |
| ▸ | ITGAV | P06756 | 3/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6934969 | 0.77 | ITGB3 (0.51) | NPC1RAB9AITGB3ITGAVITGA2B | |
| SCHEMBL6941874 | 0.75 | PYGL (0.42) | NPC1RAB9AF10 | |
| SCHEMBL6941352 | 0.73 | ITGB3 (0.47) | ITGB3ITGAVITGA2BF10 | |
| SCHEMBL7879691 | 0.72 | ITGB3 (0.56) | NPC1RAB9AITGB3ITGAVITGA2B | |
| SCHEMBL6938993 | 0.68 | ITGB3 (0.51) | NPC1RAB9AITGB3ITGAVITGA2B | |
| SCHEMBL6937428 | 0.66 | ITGB3 (0.40) | ITGB3ITGA2B | |
| SCHEMBL25212859 | 0.63 | HCAR3 (0.53) | RAB9AHCAR3DEGS1CXCR2 | |
| SCHEMBL7882801 | 0.63 | ALDH1A1 (0.41) | HDAC1ITGB3ITGAV | |
| SCHEMBL6937672 | 0.63 | EPHX2 (0.37) | EPHX2ITGB3ITGA2B | |
| SCHEMBL7099306 | 0.62 | ITGB3 (0.51) | NPC1RAB9AITGB3ITGAVITGA2B |
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-1097127-B1 | DIACYLHYDRAZINE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |
| US-6326403-B1 | CARDIOVASCULAR DISORDERS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-12-04 | — | — | US | disclosed |