Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 10/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | DKK1 | O94907 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640965 | 0.95 | DYRK1A (0.41) | DYRK1AACACBFAAH | |
| SCHEMBL29640870 | 0.93 | ACACB (0.43) | DYRK1AACACBDKK1 | |
| SCHEMBL29640982 | 0.88 | ROCK2 (0.42) | DYRK1AACACBFAAH | |
| SCHEMBL29640867 | 0.88 | CYP11B2 (0.38) | DYRK1AALDH1A1HPGDHSD17B10PTGS1 | |
| SCHEMBL29640817 | 0.82 | DYRK1A (0.37) | DYRK1AFAAH | |
| SCHEMBL29640843 | 0.82 | MAPT (0.40) | DYRK1AALDH1A1HPGDHSD17B10 | |
| SCHEMBL29640778 | 0.81 | ROCK2 (0.38) | DYRK1A | |
| Trifluoroacetic Acid SCHEMBL29640829 | 0.80 | ACACB (0.37) | DYRK1AACACBAOC3 | |
| SCHEMBL29640810 | 0.80 | DYRK1A (0.36) | DYRK1A | |
| SCHEMBL29640876 | 0.79 | DYRK1A (0.37) | DYRK1AALDH1A1 |
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-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |