Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.45 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29584617 | 0.83 | HDAC6 (0.69) | HDAC6HDAC1CES2CES1NPC1 | |
| SCHEMBL1507076 | 0.83 | HDAC6 (0.69) | HDAC6HDAC1CES2CES1NPC1 | |
| SCHEMBL2160048 | 0.80 | KMO (0.53) | CES2CES1PARP1 | |
| SCHEMBL30189265 | 0.80 | KMO (0.53) | CES2CES1PARP1 | |
| SCHEMBL13702375 | 0.79 | HDAC8 (0.68) | HDAC6HDAC1MAP4K4CDK8HDAC8 | |
| SCHEMBL114726 | 0.78 | CES2 (0.54) | HDAC6HDAC1MAP4K4CES2CES1 | |
| SCHEMBL3945341 | 0.78 | HDAC6 (0.62) | HDAC6HDAC1CES2CES1NPC1 | |
| SCHEMBL20056482 | 0.78 | HSD17B1 (0.47) | MAP4K4KAT6ANPC1RAB9AKDM4E | |
| SCHEMBL30147551 | 0.76 | HDAC6 (0.52) | HDAC6HDAC1HDAC8PDK2CRBN | |
| SCHEMBL14161443 | 0.75 | MAP4K4 (0.43) | MAP4K4KAT6AKDM4EHSD17B1HSD17B2 |
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-115551864-A | Substituted tricyclic amides, analogs thereof, and methods of using the same | 爱彼特生物制药公司 | 2022-12-30 | — | — | CN | disclosed |