Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | UBE2M | P61081 | 1/20 | 0.35 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29640847 | 0.83 | ACHE (0.35) | ACHEUBE2MDCUN1D1 | |
| Trifluoroacetic Acid SCHEMBL29640829 | 0.82 | ACACB (0.37) | ACACBDYRK1A | |
| SCHEMBL29640843 | 0.81 | MAPT (0.40) | HSD17B10L3MBTL1DYRK1A | |
| Trifluoroacetic Acid SCHEMBL29640902 | 0.79 | HCRTR1 (0.37) | — | |
| SCHEMBL29640876 | 0.78 | DYRK1A (0.37) | HTR1ADYRK1A | |
| SCHEMBL29640867 | 0.78 | CYP11B2 (0.38) | HSD17B10L3MBTL1DYRK1A | |
| Trifluoroacetic Acid SCHEMBL29627871 | 0.78 | ACACB (0.38) | ACHEPTPN11HTR1AACACB | |
| SCHEMBL29640870 | 0.77 | ACACB (0.43) | ACACBDYRK1A | |
| SCHEMBL29640863 | 0.76 | DYRK1A (0.37) | DYRK1A | |
| SCHEMBL29640810 | 0.76 | DYRK1A (0.36) | DYRK1A |
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 |