Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | GPR139 | Q6DWJ6 | 5/20 | 0.41 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGAV | P06756 | 2/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.40 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.40 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.40 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.40 |
| ▸ | ITGA8 | P53708 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL6772228 | 0.94 | GPR139 (0.43) | ROCK2GPR139SUCNR1ITGB3ALDH1A1 | |
| SCHEMBL7347786 | 0.91 | GPR139 (0.49) | ROCK2GPR139ALDH1A1NAMPTTSHR | |
| SCHEMBL6779485 | 0.90 | NAMPT (0.50) | ROCK2ITGB3ITGAVMAPTNAMPT | |
| SCHEMBL6773593 | 0.89 | SUCNR1 (0.50) | GPR139SUCNR1ITGB3ITGAVITGB1 | |
| SCHEMBL7338807 | 0.89 | ROCK2 (0.45) | ROCK2GPR139SUCNR1ITGB3ALDH1A1 | |
| SCHEMBL7832728 | 0.89 | ROCK2 (0.42) | ROCK2GPR139SUCNR1ITGB3ITGAV | |
| SCHEMBL7347790 | 0.89 | LMNA (0.45) | ROCK2ITGB3ITGAVMAPTNAMPT | |
| SCHEMBL7339949 | 0.88 | ROCK2 (0.44) | ROCK2GPR139SUCNR1ITGB3ITGAV | |
| SCHEMBL7836891 | 0.87 | NAMPT (0.56) | ROCK2ITGB3ITGAVNAMPTSMN1; SMN2 | |
| SCHEMBL7835665 | 0.86 | ITGB3 (0.45) | ROCK2GPR139SUCNR1ITGB3ITGAV |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0850221-B1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2001-07-18 | — | — | EP | claimed |
| 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 | claimed |
| 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 | claimed |