Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 12/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.38 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4597843 | 0.77 | SIRT1 (0.50) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL4597973 | 0.71 | CYP1A2 (0.61) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL17686260 | 0.71 | MEN1 (0.52) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL28078021 | 0.70 | KCNN4 (0.52) | KCNN4KCNE1KCNQ1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10939540 | 0.70 | ALDH1A1 (0.36) | NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL4598196 | 0.69 | KDM4E (0.36) | SMN1; SMN2CYP1A2 | |
| SCHEMBL7242656 | 0.68 | CYP1A2 (0.56) | ALDH1A1RAB9ACYP1A2HSD17B10 | |
| SCHEMBL776461 | 0.67 | BACE1 (0.38) | NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL29722945 | 0.67 | BACE1 (0.38) | NPC1ALDH1A1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL2333684 | 0.67 | KCNN4 (0.79) | KCNN4KCNE1KCNQ1ALDH1A1 |
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-105722830-A | Aryl sulfide derivatives and aryl sulfoxide derivatives as acaricides and insecticides | 拜耳作物科学股份公司 | 2016-06-29 | — | — | CN | disclosed |