Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 5/20 | 0.52 |
| ▸ | ITGAV | P06756 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 4/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | TACR3 | P29371 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | LCK | P06239 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6141061 | 0.91 | ITGB1 (0.55) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL6141998 | 0.89 | ITGB1 (0.39) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3320795 | 0.83 | ITGB1 (0.59) | ITGB1ITGAVITGA4ITGB7CTSB | |
| SCHEMBL4627521 | 0.83 | ITGB1 (0.59) | ITGB1ITGAVITGA4ITGB7CTSB | |
| SCHEMBL1030225 | 0.83 | ITGB1 (0.59) | ITGB1ITGAVITGA4ITGB7CTSB | |
| SCHEMBL6141873 | 0.81 | ITGB1 (0.53) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3321001 | 0.80 | ITGB1 (0.60) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL3313415 | 0.80 | ITGB1 (0.59) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL4750010 | 0.80 | ITGB1 (0.59) | ITGB1ITGAVABL1ITGA4ITGB7 | |
| SCHEMBL6141516 | 0.79 | ITGB1 (0.51) | ITGB1ITGAVITGA4ITGB7MAPT |
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 | claimed |
| 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 | claimed |