Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.34 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29640776 | 0.72 | GSK3B (0.37) | GSK3B | |
| SCHEMBL29640865 | 0.70 | GSK3B (0.36) | GSK3BCYP2D6 | |
| SCHEMBL4294864 | 0.66 | KDM4E (0.67) | SMN1; SMN2HTTALDH1A1KDM4EHPGD | |
| SCHEMBL28379997 | 0.66 | SMN1; SMN2 (0.55) | SMN1; SMN2GSK3BEP300KAT2BHTT | |
| SCHEMBL29394083 | 0.66 | KDM4E (0.67) | SMN1; SMN2HTTALDH1A1KDM4EHPGD | |
| SCHEMBL29241760 | 0.64 | EP300 (0.46) | SMN1; SMN2GSK3BEP300KAT2BPDCD1 | |
| SCHEMBL28683528 | 0.64 | SMN1; SMN2 (0.49) | SMN1; SMN2EP300KAT2BHTTPDCD1 | |
| SCHEMBL12661008 | 0.63 | EP300 (0.53) | SMN1; SMN2GSK3BEP300KAT2BHTT | |
| SCHEMBL7102988 | 0.63 | KAT2B (0.46) | SMN1; SMN2EP300KAT2BHTTPDCD1 | |
| SCHEMBL27862934 | 0.62 | HSD17B10 (0.49) | SMN1; SMN2HTTALDH1A1KDM4EGAA |
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 |