Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 6/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL7303829 | 0.90 | HTR2B (0.47) | HTR2BITGB3ITGA2BHRH3SIGMAR1 | |
| SCHEMBL7307896 | 0.88 | HTR2B (0.46) | HTR2BITGB3ITGA2BHRH3SIGMAR1 | |
| SCHEMBL7308689 | 0.88 | HTR2B (0.54) | HTR2BITGB3ITGA2BHRH3SIGMAR1 | |
| SCHEMBL7314554 | 0.88 | HTR2B (0.45) | HTR2BITGB3ITGA2BHRH3CCR2 | |
| SCHEMBL7313313 | 0.85 | HTR2B (0.45) | HTR2BITGB3ITGA2BSIGMAR1OPRL1 | |
| SCHEMBL7318339 | 0.83 | ITGB3 (0.45) | HTR2BITGB3ITGA2BSIGMAR1OPRM1 | |
| SCHEMBL7310988 | 0.82 | HTR2B (0.52) | HTR2BPARP1PARP2CCR2KCNH2 | |
| SCHEMBL7314767 | 0.82 | ITGB3 (0.38) | HTR2BITGB3ITGA2BHRH3CCR2 | |
| SCHEMBL7309068 | 0.82 | HTR2B (0.41) | HTR2BITGB3ITGA2B | |
| SCHEMBL7303558 | 0.81 | HTR2B (0.52) | HTR2BITGB3ITGA2BSIGMAR1 |
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 |