Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5199027 | 0.88 | — | — | |
| SCHEMBL5138846 | 0.73 | ALDH1A1 (0.37) | ALDH1A1CA2VCAM1 | |
| SCHEMBL2694685 | 0.67 | — | — | |
| SCHEMBL1170388 | 0.66 | ALDH1A1 (0.46) | ALDH1A1CA2 | |
| SCHEMBL9452613 | 0.66 | ALDH1A1 (0.46) | ALDH1A1CA2 | |
| SCHEMBL12862825 | 0.65 | ALDH1A1 (0.45) | ALDH1A1CA2 | |
| SCHEMBL11573573 | 0.65 | ALDH1A1 (0.40) | ALDH1A1CA2 | |
| SCHEMBL1236221 | 0.65 | — | — | |
| SCHEMBL1170855 | 0.65 | — | — | |
| SCHEMBL2800523 | 0.65 | — | — |
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-105503730-A | Pyrazole derivative and preparation method and application thereof | UNIV SHANDONG | 2016-04-20 | — | — | CN | disclosed |