Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7306996 | 0.98 | ITGB3 (0.38) | ITGB3ITGA2BLMNAHTR2BCYP2D6 | |
| SCHEMBL7303852 | 0.94 | ITGB3 (0.38) | ITGB3ITGA2BLMNAHTR2BCYP2D6 | |
| SCHEMBL7311057 | 0.90 | ITGB3 (0.40) | ITGB3ITGA2BLMNAHTR2BCYP2D6 | |
| SCHEMBL7303634 | 0.90 | ITGB3 (0.39) | ITGB3ITGA2BHTR2BCYP2D6 | |
| SCHEMBL7303222 | 0.88 | ITGB3 (0.32) | ITGB3ITGA2BLMNA | |
| SCHEMBL7315964 | 0.88 | ITGB3 (0.40) | ITGB3ITGA2BHTR2BCYP2D6 | |
| SCHEMBL7311554 | 0.85 | ACHE (0.41) | LMNAHTR2B | |
| SCHEMBL7304200 | 0.84 | ITGB3 (0.36) | ITGB3ITGA2BLMNAHTR2BCYP2D6 | |
| SCHEMBL7313170 | 0.83 | ITGB3 (0.38) | ITGB3ITGA2BHTR2BCYP2D6 | |
| SCHEMBL7304230 | 0.83 | HTR2B (0.43) | ITGB3ITGA2BLMNAHTR2BCYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5627197-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-05-06 | — | — | US | disclosed |
| EP-0727425-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1996-08-21 | — | — | EP | disclosed |