Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.54 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24257700 | 1.00 | BTK (0.54) | BTKLRRK2ADORA2AADORA1KDM4E | |
| SCHEMBL24257773 | 0.88 | BTK (0.44) | BTKADORA2AADORA1NPSR1MEN1 | |
| SCHEMBL24257698 | 0.84 | DHFR (0.44) | LRRK2ADORA2AADORA1KDM4EMEN1 | |
| SCHEMBL30454648 | 0.84 | DHFR (0.44) | LRRK2ADORA2AADORA1KDM4EMEN1 | |
| SCHEMBL24257731 | 0.84 | LRRK2 (0.42) | BTKLRRK2ADORA2AADORA1KDM4E | |
| SCHEMBL30453225 | 0.82 | NPSR1 (0.41) | BTKADORA2AADORA1KDM4ENPSR1 | |
| SCHEMBL24257730 | 0.82 | NPSR1 (0.41) | BTKADORA2AADORA1KDM4ENPSR1 | |
| SCHEMBL30546851 | 0.79 | DHFR (0.43) | BTKADORA2AADORA1KDM4ENPSR1 | |
| SCHEMBL24257623 | 0.79 | DHFR (0.43) | BTKADORA2AADORA1KDM4ENPSR1 | |
| SCHEMBL1162747 | 0.78 | BTK (0.67) | BTKLRRK2ADORA2AADORA1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4196466-A1 | PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | Akebia Therapeutics Inc. (US) | 2023-06-21 | — | — | EP | disclosed |