Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CETP | P11597 | 2/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | BACE1 | P56817 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18506132 | 0.81 | PIK3C3 (0.37) | DYRK1AADORA3MAPK1PIK3CAMAPK8 | |
| SCHEMBL18506133 | 0.81 | DYRK1A (0.35) | DYRK1AADORA3MAPK1PIK3CAMAPK8 | |
| SCHEMBL18819819 | 0.77 | S1PR1 (0.32) | CNR1CNR2S1PR1 | |
| SCHEMBL15412002 | 0.74 | S1PR1 (0.35) | CNR2CETPALDH1A1S1PR1POLB | |
| SCHEMBL1147635 | 0.73 | S1PR1 (0.31) | ALDH1A1S1PR1POLBNPC1RAB9A | |
| SCHEMBL18819821 | 0.71 | — | — | |
| SCHEMBL23934188 | 0.68 | S1PR1 (0.34) | CNR1CNR2ALDH1A1S1PR1POLB | |
| SCHEMBL21756353 | 0.67 | UTRN (0.41) | HDAC6CETPALDH1A1BACE1NPC1 | |
| SCHEMBL16667168 | 0.67 | UTRN (0.44) | HDAC6CYP1A2S1PR1KCNH2 | |
| SCHEMBL16761947 | 0.66 | PTGS1 (0.49) | DYRK1AGAAPOLBNPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3896065-A1 | 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2021-10-20 | — | — | EP | disclosed |
| EP-3896066-A2 | 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2021-10-20 | — | — | EP | disclosed |