Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CASP1 | P29466 | 11/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.42 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | PLAT | P00750 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3919350 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CASP1CA2ITGB3ITGA2B | |
| SCHEMBL10887038 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CASP1CA2ITGB3ITGA2B | |
| SCHEMBL6022077 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CASP1CA2ITGB3ITGA2B | |
| SCHEMBL2977396 | 0.88 | ALDH1A1 (0.63) | ALDH1A1CASP1ITGB3ITGA2BMME | |
| SCHEMBL2966988 | 0.88 | ALDH1A1 (0.63) | ALDH1A1CASP1ITGB3ITGA2BMME | |
| SCHEMBL10884777 | 0.88 | ALDH1A1 (0.63) | ALDH1A1CASP1ITGB3ITGA2BMME | |
| SCHEMBL2263701 | 0.87 | ALDH1A1 (0.51) | ALDH1A1CASP1CA2ITGB1ITGA4 | |
| SCHEMBL29908104 | 0.87 | TGM2 (0.52) | ALDH1A1CASP1CA2MME | |
| SCHEMBL8210508 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CASP1ITGB3ITGA2BF2 | |
| SCHEMBL8210511 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CASP1ITGB3ITGA2BF2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017216791-A1 | ANTICANCER DRUG CONJUGATES | Ariel Scientific Innovations Ltd. (IL) | 2017-12-21 | — | — | WO | disclosed |