Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | CTSC | P53634 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RXRA | P19793 | 11/20 | 0.48 |
| ▸ | GRIN1 | Q05586 | 11/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 11/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
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 | 0.81 | NOTUM (0.60) | CTSKCTSCRXRAGRIN1GRIN2B | |
| SCHEMBL22643118 | 0.79 | P2RX7 (0.60) | CTSKCTSCRXRAGRIN1GRIN2B | |
| SCHEMBL22643113 | 0.74 | CTSK (0.54) | CTSKCTSCALDH1A1RXRAGRIN1 | |
| SCHEMBL16064249 | 0.73 | CTSC (1.00) | CTSKCTSC | |
| SCHEMBL22643285 | 0.72 | CTSK (0.49) | CTSKCTSCALDH1A1RXRAGRIN1 | |
| SCHEMBL22643110 | 0.69 | CA9 (0.51) | CTSKCTSCRXRAGRIN1GRIN2B | |
| SCHEMBL30031099 | 0.66 | NOTUM (0.50) | RXRAGRIN1GRIN2BP2RX7 | |
| SCHEMBL21737191 | 0.66 | MAPT (0.45) | ALDH1A1HPGDNPC1KMT2A | |
| SCHEMBL543019 | 0.65 | ENPP2 (0.52) | ALDH1A1CYP2D6HPGDKMT2A | |
| SCHEMBL19219658 | 0.65 | RXRA (1.00) | RXRAGRIN1GRIN2B |
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 |