Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 12/20 | 0.60 |
| ▸ | ITGAV | P06756 | 1/20 | 0.60 |
| ▸ | ITGA4 | P13612 | 11/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 5/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3318084 | 0.82 | ITGB1 (0.61) | ITGB1ITGAVITGA4ITGB7ALDH1A1 | |
| SCHEMBL3317244 | 0.78 | ITGB1 (0.70) | ITGB1ITGAVITGA4ITGB7POLB | |
| SCHEMBL4419511 | 0.77 | ITGB1 (0.83) | ITGB1ITGAVITGA4ITGB7SCN3A | |
| SCHEMBL6140062 | 0.76 | ITGB1 (0.59) | ITGB1ITGAVITGA4ITGB7ABL1 | |
| SCHEMBL8352229 | 0.76 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3313356 | 0.76 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3313373 | 0.76 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3316398 | 0.76 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3312947 | 0.75 | ITGB1 (0.67) | ITGB1ITGAVITGA4ITGB7ABL1 | |
| SCHEMBL3318272 | 0.74 | ITGB1 (0.85) | ITGB1ITGAVITGA4ITGB7 |
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-A1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS | UCB, S.A. (BE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093237-A1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS | UCB, S.A. (BE) | 2003-11-13 | — | — | WO | disclosed |