Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.43 |
| ▸ | ITGAV | P06756 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4625017 | 0.92 | ITGB1 (0.48) | TACR1OPRM1OPRD1OPRK1ITGB1 | |
| SCHEMBL4625053 | 0.81 | ITGB1 (0.56) | TACR1ITGB1ITGAVITGA4 | |
| SCHEMBL3320582 | 0.80 | ITGB1 (0.61) | ITGB1ITGAVITGA4 | |
| SCHEMBL4625186 | 0.79 | ITGB1 (0.48) | ITGB1ITGAVITGA4 | |
| SCHEMBL3319865 | 0.79 | ITGB1 (0.46) | TACR1ITGB1ITGAVITGA4 | |
| SCHEMBL3318024 | 0.79 | ITGB1 (0.48) | ITGB1ITGAVITGA4 | |
| SCHEMBL3315019 | 0.78 | ITGB1 (0.73) | ITGB1ITGAVITGA4 | |
| SCHEMBL3318809 | 0.78 | ITGB1 (0.58) | ITGB1ITGAVITGA4 | |
| SCHEMBL4652682 | 0.77 | ITGB1 (0.47) | ITGB1ITGAVITGA4 | |
| SCHEMBL4627098 | 0.77 | ITGA4 (0.54) | ITGB1ITGAVITGA4 |
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-1501801-B1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES | UCB PHARMA SA (BE) | 2008-01-23 | — | — | EP | disclosed |
| EP-1870402-A1 | 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors | UCB Pharma, S.A. (BE) | 2007-12-26 | — | — | EP | disclosed |