Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 9/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634920 | 0.93 | ITGB3 (0.39) | SPHK1ITGB3ITGA2BHRH3SLC2A1 | |
| SCHEMBL8634882 | 0.77 | HRH3 (0.42) | SPHK1ITGB3ITGA2BHRH3DRD4 | |
| SCHEMBL8837928 | 0.75 | ADRB2 (0.39) | SPHK1ITGB3ITGA2BHRH3 | |
| SCHEMBL8699932 | 0.71 | GAA (0.42) | ITGB3ITGA2BMAPK1KDM4EHRH3 | |
| SCHEMBL8634928 | 0.70 | HRH3 (0.41) | SPHK1ITGB3ITGA2BHRH3DRD4 | |
| SCHEMBL8838135 | 0.70 | ADRB2 (0.40) | ITGB3ITGA2BHRH3 | |
| Hydrochloric Acid SCHEMBL8837971 | 0.69 | HRH3 (0.44) | SPHK1ITGB3ITGA2BMAPK1HRH3 | |
| SCHEMBL16596173 | 0.68 | ITGB3 (0.62) | ITGB3ITGA2B | |
| SCHEMBL8634878 | 0.67 | ITGB3 (0.42) | SPHK1ITGB3ITGA2BMAPK1HRH3 | |
| SCHEMBL8701123 | 0.67 | ADRB2 (0.42) | ITGB3ITGA2BKDM4EHRH3 |
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-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |