Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA1 | P00915 | 6/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | CA6 | P23280 | 4/20 | 0.40 |
| ▸ | CA4 | P22748 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA5A | P35218 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL15226077 | 0.77 | ALDH1A1 (0.56) | MAPT | |
| SCHEMBL7762126 | 0.76 | TSHR (0.58) | CA2CA1CA9CA12 | |
| SCHEMBL15916256 | 0.74 | PLCG1 (0.60) | CA2CA1CA6CA4ALOX5AP | |
| SCHEMBL1703386 | 0.73 | P2RX4 (0.48) | — | |
| SCHEMBL6807354 | 0.73 | MMP2 (0.51) | CA2CA1CA9 | |
| SCHEMBL7803370 | 0.73 | SCN9A (0.54) | CA2CA1CA9CA12SCN9A | |
| Bicarbonate SCHEMBL15225927 | 0.72 | RAB9A (0.54) | MAPT | |
| SCHEMBL3811042 | 0.71 | CA1 (0.42) | PTGES2CA2CA1CA9CA6 | |
| SCHEMBL7805198 | 0.71 | SCN9A (0.52) | PTGES2SCN9A | |
| SCHEMBL20303710 | 0.71 | P2RX4 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3427728-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS INC (US) | 2021-07-07 | — | — | EP | disclosed |