Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 10/20 | 0.41 |
| ▸ | FAAH | O00519 | 5/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640903 | 0.95 | DYRK1A (0.38) | DYRK1AFAAHACACB | |
| SCHEMBL29640982 | 0.93 | ROCK2 (0.42) | DYRK1AFAAHROCK2ACACB | |
| SCHEMBL29640870 | 0.88 | ACACB (0.43) | DYRK1AROCK2ACACB | |
| SCHEMBL29640817 | 0.84 | DYRK1A (0.37) | DYRK1AFAAH | |
| SCHEMBL29640867 | 0.84 | CYP11B2 (0.38) | DYRK1ANPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL29640910 | 0.84 | ROCK2 (0.48) | DYRK1AFAAHROCK2ACACB | |
| Trifluoroacetic Acid SCHEMBL29640829 | 0.82 | ACACB (0.37) | DYRK1AACACB | |
| SCHEMBL29640778 | 0.79 | ROCK2 (0.38) | DYRK1AROCK2 | |
| SCHEMBL29640843 | 0.79 | MAPT (0.40) | DYRK1ARAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL29640810 | 0.78 | DYRK1A (0.36) | DYRK1AROCK2 |
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 |