Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 4/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 9/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 3/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7449451 | 0.92 | ITGA4 (0.47) | ITGA4ITGB1ITGA5TSHRALDH1A1 | |
| SCHEMBL7323424 | 0.91 | ITGB1 (0.56) | ITGA4ITGB1ITGA5ALDH1A1FKBP1A | |
| SCHEMBL7319192 | 0.89 | ITGB1 (0.48) | ITGA4ITGB1ITGA5TSHRITGB7 | |
| SCHEMBL7445241 | 0.87 | ITGA4 (0.53) | ITGA4ITGB1ITGA5ALDH1A1FKBP1A | |
| SCHEMBL7315770 | 0.86 | ITGA4 (0.59) | ITGA4ITGB1ITGA5ALDH1A1FKBP1A | |
| SCHEMBL7320958 | 0.85 | ITGA4 (0.51) | ITGA4ITGB1ITGA5ALDH1A1FKBP1A | |
| SCHEMBL7073204 | 0.85 | ITGB1 (0.60) | ITGA4ITGB1ITGA5ALDH1A1FKBP1A | |
| SCHEMBL7325150 | 0.83 | ITGA4 (0.60) | ITGA4ITGB1ITGA5TSHRALDH1A1 | |
| SCHEMBL6708307 | 0.82 | ITGB1 (0.57) | ITGA4ITGB1ITGA5ALDH1A1FKBP1A | |
| SCHEMBL7322764 | 0.81 | ITGA4 (0.53) | ITGA4ITGB1ITGA5ALDH1A1FKBP1A |
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-1001972-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |