Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | OGA | O60502 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.34 |
| ▸ | ACACB | O00763 | 4/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | PDE8B | O95263 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10068057 | 0.90 | NPC1 (0.40) | NPC1RAB9AKDM4EOGAHDAC3 | |
| SCHEMBL12525218 | 0.86 | OGA (0.38) | NPC1RAB9AKDM4EOGAHDAC3 | |
| SCHEMBL904091 | 0.84 | GPR119 (0.36) | NPC1RAB9AKDM4EOGAHDAC3 | |
| SCHEMBL10067572 | 0.80 | ACACB (0.44) | NPC1RAB9AKDM4EOGAGPR119 | |
| SCHEMBL10067707 | 0.80 | ACACB (0.44) | NPC1RAB9AKDM4EOGAGPR119 | |
| SCHEMBL904079 | 0.79 | KDM4E (0.42) | NPC1RAB9AKDM4EGPR119 | |
| SCHEMBL12506042 | 0.77 | AOC3 (0.49) | OGAHDAC6GPR119ACACBPDE8B | |
| SCHEMBL15312801 | 0.77 | AOC3 (0.49) | OGAHDAC6GPR119ACACBPDE8B | |
| SCHEMBL357797 | 0.77 | AOC3 (0.44) | NPC1RAB9AKDM4EOGAGPR119 | |
| SCHEMBL18794986 | 0.76 | HDAC3 (0.37) | NPC1RAB9AKDM4EOGAHDAC3 |
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-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |