Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.38 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22208372 | 0.99 | OPRK1 (0.41) | OPRK1CNR2CNR1HDAC3HDAC1 | |
| SCHEMBL22208369 | 0.87 | CNR2 (0.52) | OPRK1CNR2CNR1 | |
| SCHEMBL22208358 | 0.83 | CNR1 (0.41) | CNR2CNR1KDM1AMAOA | |
| SCHEMBL22208303 | 0.78 | RIPK1 (0.57) | OPRK1CNR2CNR1HDAC3HDAC1 | |
| SCHEMBL22208416 | 0.77 | PIK3CG (0.50) | OPRK1CNR2CNR1HDAC3HDAC1 | |
| SCHEMBL22208315 | 0.76 | HPGDS (0.44) | OPRK1CNR2CNR1PIK3C3PDE4B | |
| SCHEMBL29041999 | 0.76 | PIK3C3 (0.56) | OPRK1CNR2CNR1PIK3C3CSNK2A2 | |
| SCHEMBL30508263 | 0.76 | PIK3C3 (0.56) | OPRK1CNR2CNR1PIK3C3CSNK2A2 | |
| SCHEMBL22208455 | 0.72 | DYRK1A (0.51) | OPRK1CNR2HDAC3HDAC1HDAC2 | |
| SCHEMBL22208307 | 0.72 | TSHR (0.42) | OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3908277-A1 | HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Zhang, Xiaohu (CN) | 2021-11-17 | — | — | EP | disclosed |
| WO-2020146858-A1 | HETEROARYL COMPOUNDS AS NECROSIS INHIBITORS, COMPOSITION AND METHOD USING THE SAME | ACCRO BIOSCIENCE INC. (KY) | 2020-07-16 | — | — | WO | disclosed |