Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 17/20 | 0.41 |
| ▸ | CA1 | P00915 | 14/20 | 0.41 |
| ▸ | MMP1 | P03956 | 14/20 | 0.41 |
| ▸ | MMP2 | P08253 | 14/20 | 0.41 |
| ▸ | MMP9 | P14780 | 14/20 | 0.41 |
| ▸ | MMP8 | P22894 | 14/20 | 0.41 |
| ▸ | MMP13 | P45452 | 14/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15880654 | 0.83 | CA2 (0.54) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL15881368 | 0.83 | CA2 (0.41) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL28047292 | 0.76 | CA2 (0.50) | CA2CA1 | |
| SCHEMBL15880524 | 0.76 | CDK5 (0.40) | CA2CA1MMP1MMP2MMP9 | |
| Hydrochloric Acid SCHEMBL28047351 | 0.74 | CA2 (0.38) | CA2 | |
| SCHEMBL15880546 | 0.70 | CA2 (0.52) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL6282064 | 0.69 | CES2 (0.43) | CA2 | |
| SCHEMBL28047293 | 0.68 | CA2 (0.59) | CA2 | |
| SCHEMBL28047368 | 0.68 | CA1 (0.36) | CA2CA1MMP1MMP2MMP9 | |
| SCHEMBL3100175 | 0.67 | DAO (0.43) | CA2CA1 |
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-105142627-A | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS INC | 2015-12-09 | — | — | CN | disclosed |