Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 14/20 | 0.53 |
| ▸ | CNR2 | P34972 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17142196 | 1.00 | CNR1 (0.53) | CNR1CNR2ALDH1A1CYP3A4 | |
| SCHEMBL17142198 | 1.00 | CNR1 (0.53) | CNR1CNR2ALDH1A1CYP3A4 | |
| SCHEMBL17150864 | 0.92 | CNR1 (0.54) | CNR1CNR2ALDH1A1CYP3A4 | |
| SCHEMBL17142183 | 0.88 | CNR1 (0.61) | CNR1CNR2ALDH1A1 | |
| SCHEMBL17142174 | 0.88 | CNR1 (0.61) | CNR1CNR2ALDH1A1 | |
| SCHEMBL17142173 | 0.88 | CNR1 (0.61) | CNR1CNR2ALDH1A1 | |
| SCHEMBL17142180 | 0.88 | CNR1 (0.61) | CNR1CNR2ALDH1A1 | |
| SCHEMBL17150810 | 0.88 | CNR1 (0.61) | CNR1CNR2ALDH1A1 | |
| SCHEMBL17142197 | 0.84 | CNR1 (0.62) | CNR1CNR2 | |
| SCHEMBL17150811 | 0.82 | CNR1 (0.48) | CNR1CNR2CYP3A4 |
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-2015152550-A1 | 4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXIMIDAMIDE DERIVATIVES CONTAINING SULFUR GROUPS, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME | HANMI PHARM. CO., LTD. (KR) | 2015-10-08 | — | — | WO | claimed |