Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | PSMB5 | P28074 | 6/20 | 0.43 |
| ▸ | PSMB8 | P28062 | 3/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6511946 | 0.75 | MAOB (0.71) | MAOBCA2PSMB5PSMB8KDM4C | |
| SCHEMBL6511944 | 0.74 | MAOB (0.63) | MAOBCA2PSMB5PSMB8KDM4C | |
| SCHEMBL30956074 | 0.72 | MAOB (0.45) | MAOBCA2PSMB5PSMB8CYP17A1 | |
| SCHEMBL30956081 | 0.72 | CA2 (0.46) | MAOBCA2PSMB5PSMB8KDM4C | |
| SCHEMBL30956068 | 0.71 | CA2 (0.45) | MAOBCA2PSMB5PSMB8MAOA | |
| SCHEMBL837229 | 0.71 | MAOB (0.47) | MAOBCA2PSMB5PSMB8KDM4C | |
| SCHEMBL735027 | 0.71 | MAOB (0.59) | MAOBCA2PSMB5PSMB8HDAC3 | |
| SCHEMBL9634215 | 0.71 | CA2 (0.60) | MAOBCA2PSMB5PSMB8KDM4C | |
| SCHEMBL30956092 | 0.70 | CA2 (0.44) | MAOBCA2PSMB5PSMB8KDM4C | |
| SCHEMBL30956103 | 0.70 | CYP1A2 (0.46) | MAOBCA2PSMB5PSMB8CYP17A1 |
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-3126329-B1 | N-HYDROXYMETHANESULFONAMIDE NITROXYL DONORS | CARDIOXYL PHARMACEUTICALS INC (US) | 2019-05-29 | — | — | EP | disclosed |