Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | HSD11B2 | P80365 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17795909 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HSD11B1 | |
| SCHEMBL3765866 | 0.88 | ALDH1A1 (0.37) | ALDH1A1HSD11B1 | |
| SCHEMBL5067660 | 0.87 | ALDH1A1 (0.41) | ALDH1A1HSD11B1 | |
| SCHEMBL3971196 | 0.80 | ALDH1A1 (0.34) | ALDH1A1 | |
| SCHEMBL2012124 | 0.80 | HSD11B1 (0.36) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL10422471 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HSD11B1 | |
| SCHEMBL19253305 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL19253228 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL11066714 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL2991559 | 0.77 | ALDH1A1 (0.67) | ALDH1A1HSD11B1 |
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-115397466-A | Novel 3,5-diaminobenzoic acid-based compound, pin1 inhibitor using same, and therapeutic agent for inflammatory disease | 国立大学法人广岛大学 | 2022-11-25 | — | — | CN | disclosed |