Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.39 |
| ▸ | TNKS | O95271 | 2/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21103720 | 0.89 | IRAK4 (0.42) | HDAC6HDAC1HDAC8HDAC5TNKS | |
| SCHEMBL21103867 | 0.86 | HDAC6 (0.46) | HDAC6HDAC1HDAC8HDAC5TNKS | |
| SCHEMBL21104025 | 0.82 | PGR (0.47) | HDAC6HDAC1HDAC8HDAC5TNKS | |
| SCHEMBL24282907 | 0.82 | PGR (0.47) | HDAC6HDAC1HDAC8HDAC5TNKS | |
| SCHEMBL24189829 | 0.81 | NR3C1 (0.53) | HDAC6HDAC1HDAC8HDAC5NR3C1 | |
| SCHEMBL25998434 | 0.79 | NR3C1 (0.44) | HDAC6HDAC1HDAC8HDAC5TNKS | |
| SCHEMBL24282697 | 0.75 | NR3C1 (0.47) | HDAC6HDAC1HDAC8HDAC5TNKS | |
| SCHEMBL24282864 | 0.75 | NR3C1 (0.47) | HDAC6HDAC1HDAC8HDAC5TNKS | |
| SCHEMBL24283181 | 0.75 | TNKS (0.47) | HDAC6HDAC1HDAC8HDAC5TNKS | |
| SCHEMBL24282791 | 0.75 | TNKS (0.47) | HDAC6HDAC1HDAC8HDAC5TNKS |
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-3728233-B1 | SUBSTITUTED PYRROLIDINE AMIDES II | GRUENENTHAL GMBH (DE) | 2022-04-20 | — | — | EP | disclosed |