Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.32 |
| ▸ | TUBB | P07437 | 1/20 | 0.32 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.32 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.32 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.32 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.32 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.32 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28321698 | 0.80 | NFE2L2 (0.44) | NQO2PTGS1NFE2L2CYP17A1CYP21A2 | |
| SCHEMBL28321695 | 0.80 | IDO1 (0.41) | NQO2PTGS1TRPA1NFE2L2 | |
| SCHEMBL28321694 | 0.78 | NQO2 (0.40) | NQO2PTGS1TRPA1NFE2L2CYP17A1 | |
| SCHEMBL16398651 | 0.78 | NQO2 (0.36) | NQO2PTGS1TRPA1NFE2L2BCHE | |
| SCHEMBL16398652 | 0.78 | NQO2 (0.36) | NQO2PTGS1TRPA1NFE2L2BCHE | |
| SCHEMBL28320551 | 0.77 | NFE2L2 (0.50) | PTGS1NFE2L2 | |
| SCHEMBL16402743 | 0.76 | NQO2 (0.36) | NQO2PTGS1TRPA1NFE2L2 | |
| SCHEMBL16402744 | 0.76 | NQO2 (0.36) | NQO2PTGS1TRPA1NFE2L2 | |
| SCHEMBL16399756 | 0.74 | ERBB2 (0.52) | NQO2PTGS1TRPA1 | |
| SCHEMBL16399754 | 0.74 | ERBB2 (0.52) | NQO2PTGS1TRPA1 |
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 |