Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.34 |
| ▸ | ACACB | O00763 | 3/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29908226 | 0.90 | ACACB (0.40) | ROCK2ACACBPDE10AHAO1GRIN1 | |
| Trifluoroacetic Acid SCHEMBL29628004 | 0.89 | ROCK2 (0.37) | ROCK2ACACBHAO1ESR1 | |
| Trifluoroacetic Acid SCHEMBL29640799 | 0.88 | ACACB (0.36) | ROCK2ACACBPDE10AHAO1ROCK1 | |
| SCHEMBL29640823 | 0.86 | HAO1 (0.38) | ROCK2ACACBPDE10AHAO1GRIN1 | |
| Trifluoroacetic Acid SCHEMBL29627872 | 0.83 | ACACB (0.38) | ROCK2ACACBHAO1TRPV1ABL1 | |
| SCHEMBL29627898 | 0.81 | HAO1 (0.39) | ROCK2ACACBPDE10AHAO1GRIN1 | |
| Trifluoroacetic Acid SCHEMBL29627947 | 0.80 | ROCK2 (0.42) | ROCK2HAO1ROCK1TRPV1ABL1 | |
| Trifluoroacetic Acid SCHEMBL29627871 | 0.79 | ACACB (0.38) | ROCK2ACACBGRIN1ROCK1TRPV1 | |
| SCHEMBL29908258 | 0.79 | ROCK2 (0.44) | ROCK2ACACBPDE10AGRIN1GRIN2B | |
| SCHEMBL29627883 | 0.77 | ACACB (0.46) | ROCK2ACACBPDE10AGRIN1GRIN2B |
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 |