Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.45 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.37 |
| ▸ | CHI3L1 | P36222 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.36 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20311336 | 0.80 | ACVR1 (0.42) | L3MBTL3CCNE1CDK2HSF1KCNH2 | |
| SCHEMBL22837854 | 0.80 | NPY5R (0.53) | CYP3A4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL16892009 | 0.79 | PTPN11 (0.42) | L3MBTL3CCNE1CDK2HSF1MAP4K4 | |
| SCHEMBL19152362 | 0.79 | CHRNB2 (0.49) | CYP3A4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL19947418 | 0.78 | CHRNB2 (0.53) | CYP3A4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL2362576 | 0.78 | CHKA (0.53) | CYP3A4L3MBTL3 | |
| SCHEMBL25085650 | 0.76 | ACVR1 (0.38) | L3MBTL3CCNE1CDK2HSF1KCNH2 | |
| SCHEMBL21267364 | 0.76 | CDK4 (0.40) | L3MBTL3CCNE1CDK2HSF1PTPN11 | |
| SCHEMBL26149309 | 0.75 | ACVR1 (0.41) | L3MBTL3PTPN11ACVR1 | |
| SCHEMBL2266909 | 0.75 | CHRNB2 (0.49) | CYP3A4CHRNB2CHRNB4CHRNA3CHRNA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108779117-A | Kinase inhibitor | 重庆复创医药研究有限公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-105916848-B | Kinase inhibitors and uses thereof | 山东轩竹医药科技有限公司 | 2018-01-09 | — | — | CN | disclosed |
| CN-105916848-A | Kinase inhibitors and uses thereof | 山东轩竹医药科技有限公司 | 2016-08-31 | — | — | CN | disclosed |