Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSA | P10619 | 10/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3318102 | 0.84 | ITGB1 (0.45) | — | |
| SCHEMBL3317824 | 0.69 | ITGA4 (0.61) | — | |
| SCHEMBL3313019 | 0.69 | ITGB1 (0.47) | TRPA1 | |
| SCHEMBL5173387 | 0.68 | ITGB1 (0.44) | MEN1KMT2AL3MBTL1HDAC4 | |
| SCHEMBL3316847 | 0.68 | ITGB1 (0.48) | — | |
| SCHEMBL3313181 | 0.66 | ITGB1 (0.66) | — | |
| SCHEMBL4625262 | 0.66 | ITGB1 (0.66) | — | |
| SCHEMBL3315803 | 0.66 | ALDH1A1 (0.37) | MAPTMEN1KMT2AL3MBTL1HDAC4 | |
| SCHEMBL4624848 | 0.65 | ITGB1 (0.54) | — | |
| SCHEMBL4626449 | 0.65 | ITGB1 (0.54) | — |
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 |