Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 9/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7387094 | 0.92 | ITGB1 (0.54) | OPRM1SIGMAR1OPRD1SLC22A1NR1I2 | |
| SCHEMBL7424847 | 0.92 | ITGB1 (0.46) | OPRM1SIGMAR1THRBITGB1ITGA4 | |
| SCHEMBL7391216 | 0.87 | ITGB1 (0.45) | OPRM1SIGMAR1THRBITGB1ITGA4 | |
| SCHEMBL7427303 | 0.86 | ITGB1 (0.47) | OPRM1OPRD1ITGB1ITGA4 | |
| SCHEMBL7431566 | 0.84 | ITGB1 (0.45) | OPRM1OPRD1OPRL1ITGB1ITGA4 | |
| SCHEMBL7422232 | 0.83 | THRB (0.46) | SIGMAR1THRBITGB1ITGA4 | |
| SCHEMBL7435023 | 0.82 | OPRM1 (0.49) | OPRM1THRBITGB1ITGA4 | |
| SCHEMBL7485087 | 0.82 | ITGB1 (0.44) | OPRM1SIGMAR1DRD2DRD3ITGB1 | |
| SCHEMBL7430185 | 0.82 | ITGB1 (0.45) | SIGMAR1THRBITGB1ITGA4 | |
| SCHEMBL7387319 | 0.81 | ITGB1 (0.45) | OPRD1ITGB1ITGA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999054321-A1 | SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS | AVENTIS PHARMA LIMITED (GB) | 1999-10-28 | — | — | WO | disclosed |