Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | CDC25B | P30305 | 2/20 | 0.32 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 3/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | AVPR1A | P37288 | 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 | |
|---|---|---|---|---|
| SCHEMBL6142036 | 0.89 | ITGB1 (0.37) | ITGB1ITGAVTRPA1HDAC4ITGA4 | |
| SCHEMBL3313410 | 0.85 | ITGB1 (0.59) | ITGB1ITGAVITGA4PTPN2PTPN1 | |
| SCHEMBL4624848 | 0.81 | ITGB1 (0.54) | ITGB1ITGAVITGA4PTPN2PTPN1 | |
| SCHEMBL4625262 | 0.79 | ITGB1 (0.66) | ITGB1ITGAVITGA4PTPN1ITGB7 | |
| SCHEMBL3313181 | 0.79 | ITGB1 (0.66) | ITGB1ITGAVITGA4PTPN1ITGB7 | |
| SCHEMBL6141406 | 0.76 | ITGB1 (0.50) | ITGB1ITGAVABL1ITGA4KCNH2 | |
| SCHEMBL6141402 | 0.76 | ITGB1 (0.50) | ITGB1ITGAVABL1ITGA4KCNH2 | |
| SCHEMBL6141473 | 0.75 | ITGB1 (0.55) | ITGB1ITGAVABL1ITGA4KCNH2 | |
| SCHEMBL4624559 | 0.74 | ITGB1 (0.54) | ITGB1ITGAVABL1HDAC4ITGA4 | |
| SCHEMBL3316847 | 0.74 | ITGB1 (0.48) | ITGB1ITGAVITGA4PTPN2PTPN1 |
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 |