Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK13 | O15264 | 1/20 | 0.53 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.53 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | IP6K1 | Q92551 | 2/20 | 0.48 |
| ▸ | IP6K3 | Q96PC2 | 2/20 | 0.48 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.37 |
| ▸ | CYP21A2 | P08686 | 3/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6607442 | 0.77 | MAPT (0.48) | MAPK13MAPK12MAPK11MAPK14IP6K1 | |
| SCHEMBL6606401 | 0.77 | MAPT (0.48) | MAPK13MAPK12MAPK11MAPK14IP6K1 | |
| SCHEMBL6712762 | 0.77 | MAPT (0.48) | MAPK13MAPK12MAPK11MAPK14IP6K1 | |
| SCHEMBL31175194 | 0.76 | NOTUM (0.51) | IP6K1IP6K3IP6K2TDO2HRH3 | |
| SCHEMBL15101965 | 0.76 | CHKA (0.54) | MAPK13MAPK12MAPK11MAPK14IP6K1 | |
| SCHEMBL25506010 | 0.76 | CHKA (0.54) | MAPK13MAPK12MAPK11MAPK14IP6K1 | |
| SCHEMBL28281275 | 0.74 | CHKA (0.75) | CHKACDK9CYP3A4MELK | |
| SCHEMBL15496950 | 0.73 | GPR119 (0.48) | IP6K1IP6K3IP6K2HRH3CHRNB2 | |
| SCHEMBL38662172 | 0.72 | CHKA (0.50) | MAPK13MAPK12MAPK11MAPK14CHKA | |
| SCHEMBL28229454 | 0.72 | CHKA (0.42) | IDO1TDO2CHKACYP17A1CYP21A2 |
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-101253152-A | Amide derivatives as ROCK inhibitors | ASTELLAS PHARMA INC (JP) | 2008-08-27 | — | — | CN | disclosed |