Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 10/20 | 0.51 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.51 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.47 |
| ▸ | ITGAV | P06756 | 3/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.45 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.43 |
| ▸ | F2 | P00734 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7126728 | 0.87 | ITGB1 (0.58) | ITGB1ITGA5ITGA4ITGA2FKBP1A | |
| SCHEMBL7067924 | 0.86 | ITGA4 (0.56) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 | |
| SCHEMBL6710652 | 0.81 | ITGB1 (0.57) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 | |
| SCHEMBL27514023 | 0.81 | ALDH1A1 (0.70) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 | |
| SCHEMBL6439213 | 0.81 | ALDH1A1 (0.70) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 | |
| SCHEMBL7069740 | 0.81 | ALDH1A1 (0.70) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 | |
| SCHEMBL7066469 | 0.81 | ALDH1A1 (0.70) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 | |
| SCHEMBL6710892 | 0.81 | ALDH1A1 (0.70) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 | |
| Methoxyamine SCHEMBL7553842 | 0.80 | ITGB1 (0.65) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 | |
| SCHEMBL7508673 | 0.79 | ITGA4 (0.58) | ITGB1ITGA5ITGA4ALDH1A1ITGA2 |
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-1001975-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999006436-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |