Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 6/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602415 | 0.93 | ITGB3 (0.48) | ITGB3ITGA2BSIGMAR1HTR1AF10 | |
| SCHEMBL6601180 | 0.93 | ITGB3 (0.45) | ITGB3ITGA2BSIGMAR1POLBHTR1A | |
| SCHEMBL6606831 | 0.92 | ITGB3 (0.44) | ITGB3ITGA2BSIGMAR1F10 | |
| SCHEMBL6605691 | 0.90 | ITGB3 (0.51) | ITGB3ITGA2BSIGMAR1POLBHTR1A | |
| SCHEMBL6602885 | 0.90 | ITGB3 (0.42) | ITGB3ITGA2BSIGMAR1POLBHTR1A | |
| SCHEMBL6600977 | 0.89 | ALDH1A1 (0.43) | ITGB3ITGA2BSIGMAR1F10 | |
| SCHEMBL7314871 | 0.89 | HTR1A (0.44) | ITGB3ITGA2BSIGMAR1POLBHTR1A | |
| SCHEMBL6603912 | 0.88 | ITGB3 (0.43) | ITGB3ITGA2BSIGMAR1 | |
| SCHEMBL6600922 | 0.88 | SIGMAR1 (0.44) | ITGB3ITGA2BSIGMAR1 | |
| SCHEMBL6601430 | 0.88 | ITGB3 (0.43) | ITGB3ITGA2BSIGMAR1POLBHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0741133-B1 | Adhesion receptor antagonists | MERCK PATENT GMBH (DE) | 2004-01-28 | — | — | EP | disclosed |
| EP-0741133-A2 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1996-11-06 | — | — | EP | disclosed |