Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28647967 | 0.84 | IDH1 (0.39) | HDAC8HDAC6IDH1P2RX7MAPK1 | |
| SCHEMBL22092898 | 0.84 | IDH1 (0.39) | HDAC8HDAC6IDH1P2RX7MAPK1 | |
| SCHEMBL24112177 | 0.83 | MAPK1 (0.39) | HDAC8HDAC6IDH1MAPK1GRIA2 | |
| SCHEMBL24112178 | 0.83 | MAPK1 (0.39) | HDAC8HDAC6IDH1MAPK1GRIA2 | |
| SCHEMBL30724691 | 0.83 | KDM4E (0.48) | HDAC8HDAC6KDM4EGAAEPHX2 | |
| SCHEMBL15594429 | 0.81 | KDM4E (0.53) | HDAC8HDAC6KDM4EGAADRD2 | |
| SCHEMBL30724690 | 0.81 | HDAC8 (0.47) | HDAC8HDAC6KDM4EGAAHTR1A | |
| SCHEMBL30724695 | 0.81 | HDAC8 (0.50) | HDAC8HDAC6KDM4EGAAMAPK1 | |
| SCHEMBL7970294 | 0.81 | HDAC8 (0.47) | HDAC8HDAC6KDM4EGAAMAPK1 | |
| SCHEMBL28925378 | 0.80 | GRIA2 (0.38) | HDAC8HDAC6IDH1EPHX2P2RX7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024019597-A1 | NOVEL HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION FOR INHIBITING AUTOTAXIN COMPRISING THE SAME | 주식회사 넥스트젠바이오사이언스 | 2024-01-25 | — | — | WO | disclosed |
| CN-117396471-A | Novel piperidine derivatives and pharmaceutical compositions for inhibiting autotaxin comprising the same | 株式会社次代生物科学 | 2024-01-12 | — | — | CN | disclosed |