Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 14/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | FRK | P42685 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640865 | 0.85 | GSK3B (0.36) | GSK3BCYP2D6CDC7 | |
| SCHEMBL29640835 | 0.70 | ADORA2A (0.38) | GSK3BCYP2D6CYP1A2CSNK1A1MAPK9 | |
| SCHEMBL29640776 | 0.66 | GSK3B (0.37) | GSK3BCSNK1A1MAPK9CDC7MAP4K4 | |
| SCHEMBL6202952 | 0.63 | GSK3B (0.40) | GSK3BCYP2D6CDC7 | |
| SCHEMBL29640916 | 0.60 | SMN1; SMN2 (0.41) | GSK3BCYP2D6DPP4 | |
| SCHEMBL25184191 | 0.59 | MAPK9 (0.47) | GSK3BCSNK1A1MAPK9MAPK10MAPK11 | |
| SCHEMBL1444770 | 0.59 | KMO (0.51) | CYP1A2CSNK1A1MAPK9MAPK10MAPK11 | |
| SCHEMBL7482062 | 0.58 | CYP19A1 (0.37) | DPP4 | |
| SCHEMBL29415406 | 0.58 | MAPK14 (0.57) | CYP2D6CSNK1A1MAPK9MAPK10MAPK11 | |
| SCHEMBL1445257 | 0.58 | MAPK14 (0.57) | CYP2D6CSNK1A1MAPK9MAPK10MAPK11 |
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 |