Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 8/20 | 0.62 |
| ▸ | ITGAV | P06756 | 2/20 | 0.62 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.43 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 2/20 | 0.38 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | CDC25B | P30305 | 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 | |
|---|---|---|---|---|
| SCHEMBL4625309 | 0.93 | ITGB1 (0.63) | ITGB1ITGAVITGA4ITGB7PTPN1 | |
| SCHEMBL4419511 | 0.82 | ITGB1 (0.83) | ITGB1ITGAVITGA4ITGB7PTPN1 | |
| SCHEMBL3312947 | 0.79 | ITGB1 (0.67) | ITGB1ITGAVITGA4ITGB7PTPN1 | |
| SCHEMBL3313373 | 0.78 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL3313356 | 0.78 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL8352229 | 0.78 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL3316398 | 0.78 | ITGB1 (1.00) | ITGB1ITGAVITGA4ITGB7ITGA5 | |
| SCHEMBL4625016 | 0.76 | ITGB1 (0.72) | ITGB1ITGAVITGA4ITGB7PTPN1 | |
| SCHEMBL4625467 | 0.75 | ITGB1 (0.66) | ITGB1ITGAVITGA4ITGB7PTPN1 | |
| SCHEMBL3316690 | 0.74 | ITGB1 (0.85) | ITGB1ITGAVITGA4ITGB7PTPN1 |
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-B1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES | UCB PHARMA SA (BE) | 2008-01-23 | — | — | EP | disclosed |
| EP-1870402-A1 | 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors | UCB Pharma, S.A. (BE) | 2007-12-26 | — | — | EP | disclosed |