Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CPN1 | P15169 | 1/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL7308191 | 0.94 | HTR2B (0.46) | HTR2BCPN1CPB2ITGB3ITGA2B | |
| SCHEMBL7310324 | 0.88 | HTR2B (0.40) | HTR2BSMN1; SMN2ITGB3ITGA2BMAOA | |
| SCHEMBL7315337 | 0.87 | HTR2B (0.47) | HTR2BMAPK1CPN1CPB2ITGB3 | |
| SCHEMBL7303482 | 0.86 | HTR2B (0.48) | HTR2BCYP1A2MAPK1SMN1; SMN2KDM1A | |
| SCHEMBL7311214 | 0.85 | HTR2B (0.34) | HTR2BCYP1A2MAPK1SMN1; SMN2CPN1 | |
| SCHEMBL7309599 | 0.84 | SMN1; SMN2 (0.42) | HTR2BSMN1; SMN2CPN1CPB2ITGB3 | |
| SCHEMBL7313951 | 0.83 | HTR2B (0.35) | HTR2BCYP1A2MAPK1SMN1; SMN2ITGB3 | |
| SCHEMBL7312108 | 0.83 | HTR2B (0.35) | HTR2BCYP1A2MAPK1SMN1; SMN2ITGB3 | |
| SCHEMBL7312594 | 0.83 | ITGB3 (0.37) | HTR2BCYP1A2MAPK1SMN1; SMN2ITGB3 | |
| SCHEMBL7311122 | 0.83 | HTR2B (0.35) | HTR2BCYP1A2MAPK1SMN1; SMN2ITGB3 |
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 |