Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16623573 | 0.84 | MAPT (0.34) | GSK3BUSP30JAK3KDM4EGHSR | |
| SCHEMBL16623567 | 0.83 | BRD4 (0.36) | BRD4JAK1IDH1 | |
| SCHEMBL16623495 | 0.81 | GHSR (0.36) | JAK2JAK1JAK3KDM4EGHSR | |
| SCHEMBL17849223 | 0.77 | MAPT (0.41) | GSK3BHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL16623512 | 0.77 | JAK1 (0.43) | BRD4HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL17849188 | 0.76 | EGFR (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL17849247 | 0.75 | MAPT (0.41) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16726651 | 0.73 | NPC1 (0.41) | BRD4GSK3BJAK2JAK1KDM4E | |
| SCHEMBL17849227 | 0.72 | TYK2 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL16623538 | 0.72 | JAK1 (0.31) | BRD4JAK2JAK1TYK2JAK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| EP-2857400-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2015-04-08 | — | — | EP | disclosed |