Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | NPY2R | P49146 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19368384 | 0.86 | CTSC (0.53) | CTSCCTSKKCNH2GRIN2BNAMPT | |
| SCHEMBL22643394 | 0.82 | CTSC (0.47) | CTSCKCNH2AKR1C3AKR1C2GRIN2B | |
| SCHEMBL22642946 | 0.81 | KCNH2 (0.47) | CTSCCTSKKCNH2AKR1C3AKR1C2 | |
| SCHEMBL22643135 | 0.75 | KCNH2 (0.58) | KCNH2GRIN2B | |
| SCHEMBL22643282 | 0.72 | CTSK (0.49) | CTSCCTSKKCNH2GRIN2B | |
| SCHEMBL13036109 | 0.70 | KCNH2 (0.59) | KCNH2AURKB | |
| SCHEMBL22642936 | 0.70 | KCNH2 (0.53) | CTSCCTSKKCNH2GRIN2BNAMPT | |
| SCHEMBL19998601 | 0.70 | KCNH2 (0.62) | KCNH2GRIN2B | |
| SCHEMBL19368289 | 0.69 | CTSC (0.52) | CTSCCTSKKCNH2GRIN2B | |
| SCHEMBL19155286 | 0.69 | CTSK (0.48) | CTSCCTSKKCNH2GRIN2BNAMPT |
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 |