Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | UBE2M | P61081 | 3/20 | 0.33 |
| ▸ | DCUN1D1 | Q96GG9 | 3/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.31 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 4/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
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 SCHEMBL29640927 | 0.83 | POLB (0.40) | ACHEUBE2MDCUN1D1 | |
| Trifluoroacetic Acid SCHEMBL29627917 | 0.82 | ABL1 (0.36) | ACHEUBE2MDCUN1D1TLR7LRRK2 | |
| SCHEMBL29640849 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL29640902 | 0.80 | HCRTR1 (0.37) | — | |
| SCHEMBL29908228 | 0.78 | LRRK2 (0.33) | ACHEUBE2MDCUN1D1LRRK2CTSS | |
| SCHEMBL29640827 | 0.78 | PDE10A (0.33) | — | |
| SCHEMBL29640812 | 0.77 | TIPARP (0.39) | — | |
| SCHEMBL29640858 | 0.75 | DYRK1A (0.33) | — | |
| SCHEMBL29640949 | 0.75 | MAP4K1 (0.37) | CTSSHRH3 | |
| SCHEMBL29640810 | 0.75 | DYRK1A (0.36) | — |
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 |