Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 15/20 | 0.65 |
| ▸ | ITGA5 | P08648 | 5/20 | 0.65 |
| ▸ | ITGAV | P06756 | 11/20 | 0.60 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | HPN | P05981 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325049 | 0.97 | ITGB1 (0.63) | ITGB1ITGA5ITGAVITGA4CA1 | |
| SCHEMBL7319362 | 0.90 | ITGB1 (0.79) | ITGB1ITGA5ITGAVITGA4ITGB3 | |
| SCHEMBL7317563 | 0.88 | ITGB1 (0.63) | ITGB1ITGA5ITGAVITGA4TSHR | |
| SCHEMBL7327703 | 0.85 | ITGB1 (0.70) | ITGB1ITGA5ITGAVITGA4FKBP1A | |
| SCHEMBL7325692 | 0.85 | ITGB1 (0.61) | ITGB1ITGA5ITGAVITGA4TSHR | |
| SCHEMBL18348970 | 0.84 | ITGB1 (0.67) | ITGB1ITGA5ITGAVITGA4ITGB3 | |
| SCHEMBL7448876 | 0.84 | ITGB1 (0.57) | ITGB1ITGA5ITGAVITGA4TSHR | |
| SCHEMBL18349161 | 0.84 | ITGB1 (0.92) | ITGB1ITGA5ITGAVITGA4ITGB3 | |
| SCHEMBL18339179 | 0.84 | ITGB1 (0.92) | ITGB1ITGA5ITGAVITGA4ITGB3 | |
| SCHEMBL16598570 | 0.84 | ITGB1 (0.92) | ITGB1ITGA5ITGAVITGA4ITGB3 |
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 | claimed |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |