Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | F2 | P00734 | 5/20 | 0.48 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | PPARD | Q03181 | 2/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL3441383 | 0.85 | F2 (0.55) | ALDH1A1F2BACE1MMP2MMP9 | |
| SCHEMBL6866437 | 0.82 | ITGB3 (0.55) | ALDH1A1ITGB3ITGA2BKCNA5MMP2 | |
| SCHEMBL6868246 | 0.81 | ITGB3 (0.43) | F2ITGB3ITGA2B | |
| SCHEMBL6873358 | 0.81 | TDP1 (0.46) | ALDH1A1ITGB3ITGA2BKCNA5BACE1 | |
| SCHEMBL6862305 | 0.78 | MMP2 (0.47) | ALDH1A1PPARAITGB3ITGA2BKCNA5 | |
| SCHEMBL6861761 | 0.78 | P2RX7 (0.45) | F2ITGB3ITGA2BMMP2MMP9 | |
| SCHEMBL6870315 | 0.77 | L3MBTL1 (0.52) | ALDH1A1PPARGITGB3ITGA2BMMP2 | |
| SCHEMBL7984105 | 0.76 | BACE1 (0.62) | F2BACE1 | |
| SCHEMBL7983820 | 0.75 | F2 (0.53) | F2BACE1MMP2MMP9 | |
| SCHEMBL7983901 | 0.75 | F2 (0.55) | F2BACE1MMP2MMP9 |
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-1155003-B1 | NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION | AVENTIS PHARMA GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |
| US-6340679-B1 | FOR INHIBITING BONE RESORPTION, OSTEOPOROSIS, TUMOR GROWTH OR TUMOR METASTASIS, INFLAMMATION, OR FOR THE TREATMENT OF CARDIOVASCULAR DISORDERS, RESTENOSIS, ARTERIOSCLEROSIS, NEPHROPATHIES, RETINOPATHIES OR RHEUMATOID ARTHRITIS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-01-22 | — | — | US | disclosed |
| EP-1155003-A1 | NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION | Aventis Pharma Deutschland GmbH (DE) | 2001-11-21 | — | — | EP | disclosed |
| WO-2000047564-A1 | NOVEL GUANIDINE DERIVATIVES AS INHIBITORS OF CELL ADHESION | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-08-17 | — | — | WO | disclosed |
| EP-1028114-A1 | Novel guanidine derivatives as inhibitors of cell adhesion | Aventis Pharma Deutschland GmbH (DE) | 2000-08-16 | — | — | EP | disclosed |