Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 5/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.38 |
| ▸ | ITGAV | P06756 | 4/20 | 0.38 |
| ▸ | MDM4 | O15151 | 2/20 | 0.38 |
| ▸ | GPR139 | Q6DWJ6 | 8/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL27501985 | 0.89 | ITGB1 (0.44) | ITGB1ITGA5ITGB3ITGAVMDM4 | |
| SCHEMBL27486186 | 0.86 | ITGB1 (0.39) | ITGB1ITGA5ITGB3ITGAVMDM4 | |
| SCHEMBL27503083 | 0.84 | HTT (0.43) | ALDH1A1ITGB1ITGA5ITGB3ITGAV | |
| SCHEMBL6776778 | 0.84 | ITGB3 (0.45) | ALDH1A1GAAHSD17B10ITGB1ITGA5 | |
| SCHEMBL27486190 | 0.83 | GPR139 (0.46) | ALDH1A1ITGB1ITGA5GPR139MEN1 | |
| SCHEMBL27521095 | 0.82 | KMT2A (0.42) | ALDH1A1ITGB1ITGA5GPR139NPC1 | |
| SCHEMBL7340682 | 0.81 | ALDH1A1 (0.47) | ALDH1A1GAAHSD17B10ITGB1ITGA5 | |
| SCHEMBL27504167 | 0.79 | ITGB1 (0.51) | ITGB1ITGA5ITGB3ITGAVMDM4 | |
| SCHEMBL27484818 | 0.78 | SMN1; SMN2 (0.40) | ALDH1A1ITGB1ITGA5ITGB3ITGAV | |
| SCHEMBL27522236 | 0.77 | ITGB1 (0.41) | ALDH1A1ITGB1ITGA5ITGB3ITGAV |
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 |
|---|---|---|---|---|---|---|---|
| CN-1201454-A | Meta-guanidino, ureido, thioureido or azacyclic aminobenzoic acid derivatives as integrin antagonists | SEARLE & CO (US) | 1998-12-09 | — | — | CN | claimed |