Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.60 |
| ▸ | RXRA | P19793 | 15/20 | 0.56 |
| ▸ | GRIN1 | Q05586 | 15/20 | 0.56 |
| ▸ | GRIN2B | Q13224 | 15/20 | 0.56 |
| ▸ | DDX3X | O00571 | 3/20 | 0.53 |
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | CTSC | P53634 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22642979 | 0.88 | NOTUM (0.60) | RXRAGRIN1GRIN2BCTSKCTSC | |
| SCHEMBL22643248 | 0.79 | CTSK (0.55) | P2RX7RXRAGRIN1GRIN2BCTSK | |
| SCHEMBL22643113 | 0.79 | CTSK (0.54) | RXRAGRIN1GRIN2BDDX3XCTSK | |
| SCHEMBL22643110 | 0.75 | CA9 (0.51) | RXRAGRIN1GRIN2BCTSKCTSC | |
| SCHEMBL17978485 | 0.75 | P2RX7 (0.74) | P2RX7RXRAGRIN1GRIN2BDDX3X | |
| SCHEMBL15316360 | 0.75 | P2RX7 (0.73) | P2RX7RXRAGRIN1GRIN2BDDX3X | |
| SCHEMBL21974270 | 0.75 | RXRA (0.68) | P2RX7RXRAGRIN1GRIN2BDDX3X | |
| SCHEMBL29828653 | 0.74 | P2RX7 (0.67) | P2RX7DDX3X | |
| SCHEMBL22643285 | 0.74 | CTSK (0.49) | RXRAGRIN1GRIN2BCTSKCTSC | |
| SCHEMBL17978607 | 0.73 | P2RX7 (0.65) | P2RX7DDX3X |
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-2970283-B1 | SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2020-11-11 | — | — | EP | disclosed |