Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22858075 | 0.87 | GSK3B (0.36) | P2RX7GSK3BDYRK1ABRD9MAPKAPK2 | |
| SCHEMBL22858190 | 0.84 | P2RX7 (0.37) | P2RX7GSK3BDYRK1ABRD9MAPKAPK2 | |
| SCHEMBL24424754 | 0.77 | NTRK1 (0.42) | P2RX7GSK3BDYRK1ABRD9MAPKAPK2 | |
| SCHEMBL22858199 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL28718451 | 0.72 | IRAK4 (0.37) | GSK3BDYRK1ABRD9HDAC3HDAC8 | |
| SCHEMBL22843008 | 0.72 | ATR (0.41) | GSK3BDYRK1ABRD9ATRIDO1 | |
| SCHEMBL29143532 | 0.71 | ATR (0.42) | P2RX7BRD9MAPKAPK2BRD4P2RX3 | |
| SCHEMBL22843003 | 0.71 | IRAK4 (0.40) | GSK3BDYRK1ABRD9ATRIDO1 | |
| SCHEMBL22858072 | 0.70 | CSNK2A1 (0.32) | P2RX3ATRIRAK4 | |
| SCHEMBL1058517 | 0.70 | ALDH1A1 (0.44) | P2RX7BRD9BRD4ATR |
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-2021000855-A1 | MALT1 INHIBITORS AND USES THEREOF | QILU REGOR THERAPEUTICS INC. (CN) | 2021-01-07 | — | — | WO | disclosed |