Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.37 |
| ▸ | ITGAV | P06756 | 3/20 | 0.37 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.37 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.37 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.37 |
| ▸ | ITGB8 | P26012 | 2/20 | 0.37 |
| ▸ | ITGA8 | P53708 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7823060 | 0.92 | ITGB3 (0.38) | ALDH1A1POLBNPSR1ITGB3ITGB1 | |
| SCHEMBL6777666 | 0.90 | ITGB3 (0.47) | ALDH1A1POLBITGB3ITGB1ITGAV | |
| SCHEMBL3839471 | 0.88 | GPR139 (0.47) | ITGB3ITGB1ITGAVITGA5KMT2A | |
| SCHEMBL7340065 | 0.87 | F7 (0.38) | ALDH1A1POLBNPSR1ITGB3ITGB1 | |
| SCHEMBL7340341 | 0.85 | F7 (0.41) | POLBNPSR1ITGB3ITGB1ITGAV | |
| SCHEMBL7341726 | 0.85 | GPR139 (0.42) | ALDH1A1NPSR1ITGB3ITGB1ITGAV | |
| SCHEMBL7340506 | 0.84 | ITGB3 (0.49) | ALDH1A1POLBNPSR1ITGB3ITGB1 | |
| SCHEMBL7337752 | 0.84 | NPC1 (0.44) | ALDH1A1POLBNPSR1ITGB3ITGB1 | |
| SCHEMBL7344055 | 0.83 | F7 (0.46) | ALDH1A1F2F7GPR139F10 | |
| SCHEMBL7341087 | 0.83 | GPR139 (0.48) | ITGB3ITGB1ITGAVITGA5ITGB5 |
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 1 patent. 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 |