Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.41 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.41 |
| ▸ | ITGAL | P20701 | 2/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 6/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.39 |
| ▸ | ITGAV | P06756 | 4/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.39 |
| ▸ | CTSV | O60911 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL6775970 | 0.89 | GPR132 (0.49) | ITGB1GPR132ITGB3ITGAVITGA2B | |
| SCHEMBL6772224 | 0.87 | CTSV (0.50) | ITGB1CTSBGPR132ITGB3ITGAV | |
| SCHEMBL7838300 | 0.87 | ITGB3 (0.51) | ITGB1CTSBGPR132ITGB3ITGAV | |
| SCHEMBL6773776 | 0.86 | CTSB (0.43) | GAAITGB1CTSBGPR132ITGB3 | |
| SCHEMBL7345772 | 0.86 | GPR132 (0.39) | ALDH1A1ITGB1CTSBGPR132ITGB3 | |
| SCHEMBL6778268 | 0.85 | GPR139 (0.44) | ITGB1CTSBGPR132ITGB3ITGAV | |
| SCHEMBL3051751 | 0.84 | GPR139 (0.44) | ITGB1CTSBGPR132ITGB3ITGAV | |
| SCHEMBL7823171 | 0.84 | ITGB3 (0.50) | ITGB1GPR132ITGB3ITGAVITGA2B | |
| SCHEMBL7339636 | 0.84 | GPR132 (0.50) | ALDH1A1GPR132SMN1; SMN2GPR139 | |
| SCHEMBL6778084 | 0.84 | GPR139 (0.45) | ITGB1ITGA4CTSBGPR132ITGB3 |
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-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | disclosed |