Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 5/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304864 | 0.89 | HTR2B (0.43) | HTR2BITGB3ITGA2BSIGMAR1 | |
| SCHEMBL7307896 | 0.88 | HTR2B (0.46) | HTR2BITGB3ITGA2BSIGMAR1OPRL1 | |
| SCHEMBL7313924 | 0.86 | HTR2B (0.51) | HTR2BITGB3ITGA2BSIGMAR1CACNA2D1 | |
| SCHEMBL7302525 | 0.85 | HTR2B (0.48) | HTR2BITGB3ITGA2BSIGMAR1OPRL1 | |
| SCHEMBL7309068 | 0.83 | HTR2B (0.41) | HTR2BITGB3ITGA2B | |
| SCHEMBL7318339 | 0.83 | ITGB3 (0.45) | HTR2BITGB3ITGA2BSIGMAR1OPRL1 | |
| SCHEMBL7303558 | 0.81 | HTR2B (0.52) | HTR2BITGB3ITGA2BSIGMAR1 | |
| SCHEMBL7306893 | 0.80 | HTR2B (0.49) | HTR2BITGB3ITGA2BCACNA2D1CACNA1B | |
| SCHEMBL7303264 | 0.79 | HTR2B (0.38) | HTR2BITGB3ITGA2B | |
| SCHEMBL7311678 | 0.78 | HTR2B (0.45) | HTR2BITGB3ITGA2BSIGMAR1OPRL1 |
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-5776937-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-07-07 | — | — | US | disclosed |
| EP-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |