Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 6/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | SMYD3 | Q9H7B4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7313924 | 0.88 | HTR2B (0.51) | HTR2BCACNA2D1CACNA1BCACNB1ITGB3 | |
| SCHEMBL7305444 | 0.87 | HTR2B (0.50) | HTR2BGLACACNA2D1CACNA1BCACNB1 | |
| SCHEMBL7304864 | 0.87 | HTR2B (0.43) | HTR2BITGB3ITGA2B | |
| SCHEMBL7310988 | 0.83 | HTR2B (0.52) | HTR2BGLA | |
| SCHEMBL7308191 | 0.82 | HTR2B (0.46) | HTR2BGLAITGB3ITGA2B | |
| SCHEMBL7310427 | 0.81 | HTR2B (0.43) | HTR2B | |
| SCHEMBL7305773 | 0.81 | HTR2B (0.54) | HTR2B | |
| SCHEMBL7303482 | 0.81 | HTR2B (0.48) | HTR2BCACNA2D1CACNA1BCACNB1KDM1A | |
| SCHEMBL7313313 | 0.80 | HTR2B (0.45) | HTR2BCACNA2D1CACNA1BCACNB1ITGB3 | |
| SCHEMBL7314426 | 0.77 | HTR2B (0.50) | HTR2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | claimed |
| JP-8208629-A | — | — | None | — | — | JP | disclosed |
| US-5776937-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-07-07 | — | — | US | disclosed |
| JP-H08208629-A | ADHESION RECEPTOR ANTAGONISTIC COMPOUND | MERCK PATENT GMBH | 1996-08-13 | — | — | JP | disclosed |
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |