Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 3/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28321741 | 0.80 | NQO2 (0.40) | TRPA1NQO2PTGS1NFE2L2 | |
| SCHEMBL28320536 | 0.79 | IDO1 (0.49) | IDO1NQO2NOTUMPHF8PTGS1 | |
| SCHEMBL16399756 | 0.77 | ERBB2 (0.52) | TRPA1NQO2PHF8PTGS1 | |
| SCHEMBL16399754 | 0.77 | ERBB2 (0.52) | TRPA1NQO2PHF8PTGS1 | |
| SCHEMBL28321694 | 0.77 | NQO2 (0.40) | TRPA1NQO2PTGS1NFE2L2CHEK1 | |
| SCHEMBL28320616 | 0.76 | IDO1 (0.63) | IDO1NOTUMNFE2L2METAP2KEAP1 | |
| SCHEMBL28321705 | 0.72 | IDO1 (0.48) | IDO1NOTUMPHF8PTGS1NFE2L2 | |
| SCHEMBL16398652 | 0.72 | NQO2 (0.36) | TRPA1NQO2PTGS1NFE2L2CHEK1 | |
| SCHEMBL16398651 | 0.72 | NQO2 (0.36) | TRPA1NQO2PTGS1NFE2L2CHEK1 | |
| SCHEMBL18002622 | 0.71 | NQO2 (0.50) | NQO2PTGS1NFE2L2 |
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-105408325-B | cyanotriazole compounds | 大塚制药株式会社 | 2019-10-22 | — | — | CN | disclosed |