Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL859860 | 0.85 | TP53 (0.42) | CA2CA1CA12CA14CA7 | |
| SCHEMBL19285178 | 0.83 | — | — | |
| SCHEMBL19285179 | 0.83 | — | — | |
| SCHEMBL19285222 | 0.83 | — | — | |
| SCHEMBL9239655 | 0.79 | CA2 (0.39) | CA2CA1CA12CA14CA7 | |
| SCHEMBL8387816 | 0.77 | HDAC1 (0.36) | CA2CA1MMP9 | |
| SCHEMBL28026852 | 0.77 | MMP9 (0.30) | MMP9 | |
| SCHEMBL28490727 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL27570007 | 0.71 | CA2 (0.33) | CA2 | |
| SCHEMBL20629641 | 0.69 | MMP9 (0.32) | CA2CA1CA12CA14CA7 |
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-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 |
| CN-105142627-A | Pharmaceutical compositions comprising nitroxyl donors | CARDIOXYL PHARMACEUTICALS INC | 2015-12-09 | — | — | CN | disclosed |