Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PTGIR | P43119 | 7/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL4724194 | 0.84 | SMN1; SMN2 (0.55) | SMN1; SMN2PTGIRCHRM3ITGB3ITGA2B | |
| SCHEMBL12337279 | 0.82 | SMN1; SMN2 (0.44) | SMN1; SMN2CHRM3ITGB3ITGA2BHSD11B1 | |
| SCHEMBL8336494 | 0.81 | ALDH1A1 (0.45) | SMN1; SMN2PTGIRCHRM3ITGB3ITGA2B | |
| SCHEMBL8948689 | 0.81 | CYP3A4 (0.35) | SMN1; SMN2PTGIRCHRM3ITGB3ITGA2B | |
| SCHEMBL8479434 | 0.80 | PTGIR (0.42) | SMN1; SMN2PTGIRITGB3ITGA2B | |
| SCHEMBL27499708 | 0.80 | PTGIR (0.42) | PTGIRITGB3ITGA2BBCHE | |
| SCHEMBL8948744 | 0.80 | CYP3A4 (0.51) | PTGIRCHRM3BCHE | |
| SCHEMBL24271978 | 0.78 | ITGB3 (0.45) | PTGIRITGB3ITGA2B | |
| SCHEMBL9194978 | 0.77 | — | — | |
| SCHEMBL1721953 | 0.77 | ITGB3 (0.47) | PTGIRITGB3ITGA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5532255-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-02 | — | — | US | disclosed |