Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 9/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 8/20 | 0.41 |
| ▸ | MTOR | P42345 | 8/20 | 0.41 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | RICTOR | Q6R327 | 1/20 | 0.37 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.37 |
| ▸ | MAPKAP1 | Q9BPZ7 | 1/20 | 0.37 |
| ▸ | MLST8 | Q9BVC4 | 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 | |
|---|---|---|---|---|
| SCHEMBL21732286 | 0.81 | HDAC6 (0.44) | HDAC6HDAC8HDAC1HDAC5PIK3CA | |
| SCHEMBL20319884 | 0.78 | HDAC6 (0.53) | HDAC6HDAC8HDAC1HDAC5MDM2 | |
| SCHEMBL30016555 | 0.77 | HDAC6 (0.43) | HDAC6HDAC8HDAC1HDAC5PIK3CA | |
| SCHEMBL21732287 | 0.76 | HDAC6 (0.51) | HDAC6HDAC8HDAC1HDAC5NUDT1 | |
| SCHEMBL30017681 | 0.74 | HDAC6 (0.43) | HDAC6HDAC8HDAC1HDAC5NUDT1 | |
| SCHEMBL30016611 | 0.74 | HDAC6 (0.43) | HDAC6HDAC8HDAC1HDAC5NUDT1 | |
| SCHEMBL21723124 | 0.74 | HDAC6 (0.41) | HDAC6HDAC8HDAC1HDAC5PIK3CA | |
| SCHEMBL23882229 | 0.73 | JAK3 (0.51) | — | |
| SCHEMBL23882232 | 0.73 | JAK3 (0.51) | — | |
| SCHEMBL30129901 | 0.73 | JAK3 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020035557-A1 | NOVEL HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA | LEO PHARMA A/S (DK) | 2020-02-20 | — | — | WO | disclosed |