Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | FFAR2 | O15552 | 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 | |
|---|---|---|---|---|
| SCHEMBL3139733 | 0.80 | GABBR2 (0.46) | MMP2MMP9HTTGABBR2GABBR1 | |
| SCHEMBL16914895 | 0.77 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL3129710 | 0.70 | MMP2 (0.48) | MMP2MMP9GABBR2GABBR1SLC6A4 | |
| SCHEMBL15617709 | 0.69 | GABBR2 (0.42) | CA1CA2MMP2MMP9HDAC4 | |
| SCHEMBL11573710 | 0.66 | GABBR2 (0.42) | CA1CA2GABBR2GABBR1CA12 | |
| SCHEMBL27792875 | 0.66 | GABBR2 (0.59) | GABBR2GABBR1SLC6A4SLC6A3 | |
| SCHEMBL13567510 | 0.66 | GABBR2 (0.39) | CA1CA2MMP2MMP9HTT | |
| SCHEMBL24173652 | 0.65 | ADRB2 (0.44) | HDAC4HDAC7HDAC5HTTSLC6A4 | |
| SCHEMBL868462 | 0.65 | LMNA (0.60) | HTTGABBR2GABBR1SLC6A4SLC6A3 | |
| SCHEMBL3930111 | 0.65 | LMNA (0.60) | HTTGABBR2GABBR1SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9932303-B2 | N-hydroxymethanesulfonamide nitroxyl donors | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2018-04-03 | — | — | US | claimed |