Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29640843 | 0.92 | MAPT (0.40) | DYRK1AMAPTHSD17B10TSHRALDH1A1 | |
| SCHEMBL29640876 | 0.91 | DYRK1A (0.37) | DYRK1AMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL29640903 | 0.88 | DYRK1A (0.38) | DYRK1AHSD17B10ALDH1A1HPGDPTGS1 | |
| SCHEMBL29640965 | 0.84 | DYRK1A (0.41) | DYRK1ASMN1; SMN2NPC1RAB9AL3MBTL1 | |
| SCHEMBL29640778 | 0.84 | ROCK2 (0.38) | DYRK1A | |
| SCHEMBL29640863 | 0.83 | DYRK1A (0.37) | DYRK1A | |
| SCHEMBL29640810 | 0.82 | DYRK1A (0.36) | DYRK1A | |
| SCHEMBL29640949 | 0.82 | MAP4K1 (0.37) | MAPTTSHRKMT2AMAPK1 | |
| SCHEMBL29640870 | 0.81 | ACACB (0.43) | DYRK1A | |
| SCHEMBL29640982 | 0.78 | ROCK2 (0.42) | 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 |