Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.52 |
| ▸ | ITGAV | P06756 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.33 |
| ▸ | MPL | P40238 | 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 | |
|---|---|---|---|---|
| SCHEMBL6142370 | 0.88 | ITGB1 (0.66) | ITGB1ITGAVKCNH2HRH3ITGA4 | |
| SCHEMBL6140931 | 0.82 | ITGB1 (0.54) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL3313527 | 0.81 | ITGB1 (0.79) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6140590 | 0.79 | ITGB1 (0.56) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6140902 | 0.77 | ITGB1 (0.44) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6141873 | 0.76 | ITGB1 (0.53) | ITGB1ITGAVKCNH2HRH3ITGA4 | |
| SCHEMBL6141516 | 0.74 | ITGB1 (0.51) | ITGB1ITGAVITGA4ITGB7RAB9A | |
| SCHEMBL4409576 | 0.74 | ITGB1 (0.85) | ITGB1ITGAVITGA4ITGB7 | |
| SCHEMBL6142182 | 0.73 | ITGB1 (0.47) | ITGB1ITGAVKCNH2HRH3ITGA4 | |
| SCHEMBL6141061 | 0.72 | ITGB1 (0.55) | ITGB1ITGAVKCNH2HRH3ITGA4 |
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 |