Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28624625 | 0.92 | GAA (0.47) | CYP2C9HDAC1HDAC6ROCK2ROCK1 | |
| SCHEMBL18612546 | 0.89 | CYP2C9 (0.49) | CYP2C9HDAC1HDAC6ROCK2ROCK1 | |
| SCHEMBL28615405 | 0.87 | HDAC1 (0.46) | HDAC1HDAC6HIF1AEPAS1SIRT1 | |
| SCHEMBL18581361 | 0.86 | HDAC6 (0.59) | HDAC1HDAC6HIF1AEPAS1 | |
| SCHEMBL18581189 | 0.86 | CYP2C9 (0.53) | CYP2C9HDAC1HDAC6ROCK2ROCK1 | |
| SCHEMBL18581215 | 0.86 | CYP2C9 (0.54) | CYP2C9HDAC1HDAC6ROCK2ROCK1 | |
| SCHEMBL28629897 | 0.82 | CYP2C9 (0.50) | CYP2C9GAA | |
| SCHEMBL18619540 | 0.79 | MAPT (0.57) | GAAKDM4ESMN1; SMN2 | |
| SCHEMBL18612779 | 0.79 | HDAC1 (0.43) | HDAC1HDAC6GAAKDM4EHIF1A | |
| SCHEMBL18593256 | 0.79 | KCNH2 (0.43) | CYP2C9HDAC1HDAC6ROCK2ROCK1 |
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-113121463-A | Amide compound with bicyclic structure and application thereof in medicines | 广东东阳光药业有限公司 | 2021-07-16 | — | — | CN | disclosed |