Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.50 |
| ▸ | ITGAV | P06756 | 1/20 | 0.50 |
| ▸ | CTSC | P53634 | 8/20 | 0.43 |
| ▸ | EED | O75530 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CTSV | O60911 | 2/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13398361 | 0.86 | ITGB1 (0.53) | ITGB1ITGAVCTSCABL1ITGA4 | |
| SCHEMBL4623973 | 0.82 | ITGB1 (0.51) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3314316 | 0.79 | ITGB1 (0.53) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3316799 | 0.79 | ITGB1 (0.53) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3316735 | 0.79 | ITGB1 (0.50) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL4625418 | 0.78 | ITGB1 (0.44) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3319924 | 0.78 | ITGB1 (0.80) | ITGB1ITGAVITGA4ITGB7CDK2 | |
| SCHEMBL8353596 | 0.78 | ITGB1 (0.80) | ITGB1ITGAVITGA4ITGB7CDK2 | |
| SCHEMBL3315770 | 0.78 | ITGB1 (0.80) | ITGB1ITGAVITGA4ITGB7CDK2 | |
| SCHEMBL3312536 | 0.77 | ITGB1 (0.58) | ITGB1ITGAVABL1ITGA4ITGB7 |
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 |