Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 13/20 | 0.57 |
| ▸ | CA1 | P00915 | 12/20 | 0.57 |
| ▸ | CA9 | Q16790 | 11/20 | 0.57 |
| ▸ | CA12 | O43570 | 9/20 | 0.57 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL28295349 | 0.79 | CA2 (0.49) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL1808445 | 0.71 | CDK2 (0.59) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL1037129 | 0.70 | CA2 (0.50) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL10506504 | 0.69 | CA2 (0.63) | CA2CA1CA9CA12LCK | |
| SCHEMBL4423120 | 0.69 | GAA (0.40) | CA2CA1CA9CA12MAPK1 | |
| SCHEMBL11327506 | 0.68 | DUSP5 (0.64) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL1806513 | 0.68 | CA2 (0.61) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL5518503 | 0.66 | CDK2 (0.63) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL1121506 | 0.66 | CA2 (0.44) | CA2CA1CA9CA12CDK2 | |
| SCHEMBL1121456 | 0.66 | CA2 (0.44) | CA2CA1CA9CA12CDK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110179777-A | Medical composition comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-105142627-B | Pharmaceutical compositions comprising nitroxyl donors | 卡尔迪奥克斯尔制药公司 | 2019-06-21 | — | — | CN | disclosed |