Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 13/20 | 0.57 |
| ▸ | ITGA4 | P13612 | 13/20 | 0.57 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7362260 | 1.00 | ITGB1 (0.57) | ITGB1ITGA4BDKRB2TRPV1ALDH1A1 | |
| SCHEMBL7356671 | 0.92 | ITGB1 (0.67) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7356657 | 0.92 | ITGB1 (0.67) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7358843 | 0.91 | ITGB1 (0.58) | ITGB1ITGA4BDKRB2LMNASMN1; SMN2 | |
| SCHEMBL7359863 | 0.90 | ITGB1 (0.57) | ITGB1ITGA4TRPV1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7361891 | 0.89 | ITGB1 (0.51) | ITGB1ITGA4ALDH1A1GAARAB9A | |
| SCHEMBL7361897 | 0.89 | ITGB1 (0.51) | ITGB1ITGA4ALDH1A1GAARAB9A | |
| SCHEMBL27574646 | 0.84 | ITGB1 (0.69) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7352018 | 0.84 | ITGB1 (0.69) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7352549 | 0.83 | ITGB1 (0.68) | ITGB1ITGA4SMN1; SMN2NPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1161422-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1140792-A1 | 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6166050-A | 3,4-diamino-3-cyclobutene-1,2-dione derivatives which inhibit leukocyte adhesion mediated by VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000055144-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |
| WO-2000035855-A1 | 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE DERIVATIVES WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-22 | — | — | WO | disclosed |