Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL10030507 | 0.81 | — | — | |
| SCHEMBL5932515 | 0.79 | TSHR (0.32) | ALDH1A1TSHR | |
| SCHEMBL13227954 | 0.79 | LMNA (0.43) | CYP3A4 | |
| SCHEMBL15178134 | 0.78 | CA2 (0.31) | ALDH1A1CYP3A4TSHRNFKB1NPSR1 | |
| SCHEMBL2633252 | 0.76 | CA2 (0.31) | — | |
| SCHEMBL14476994 | 0.76 | LMNA (0.39) | ALDH1A1 | |
| SCHEMBL18886786 | 0.76 | — | — | |
| SCHEMBL4274533 | 0.76 | — | — | |
| SCHEMBL12964018 | 0.73 | — | — | |
| SCHEMBL9063930 | 0.72 | — | — |
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-1548024-B1 | PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF | KISSEI PHARMACEUTICAL (JP) | 2012-06-06 | — | — | EP | disclosed |