Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | CTSC | P53634 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 4/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.47 |
| ▸ | WNT1 | P04628 | 3/20 | 0.47 |
| ▸ | ABL1 | P00519 | 5/20 | 0.45 |
| ▸ | CREBBP | Q92793 | 5/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19155147 | 0.86 | CTSC (0.55) | CTSKCTSCGSK3BDYRK1AWNT1 | |
| SCHEMBL22642946 | 0.79 | KCNH2 (0.47) | CTSKCTSCCREBBPBRD4KCNH2 | |
| SCHEMBL22642924 | 0.75 | KCNH2 (0.51) | CTSKCTSCGSK3BDYRK1AKCNH2 | |
| SCHEMBL22643394 | 0.72 | CTSC (0.47) | CTSCABL1KCNH2GRIN2B | |
| SCHEMBL22643116 | 0.72 | CTSC (0.47) | CTSKCTSCKCNH2GRIN2B | |
| SCHEMBL22642994 | 0.71 | KCNH2 (0.49) | CTSKCTSCGSK3BDYRK1AKCNH2 | |
| SCHEMBL13036109 | 0.71 | KCNH2 (0.59) | KCNH2 | |
| SCHEMBL22642940 | 0.67 | KCNH2 (0.50) | CTSKCTSCKCNH2GRIN2B | |
| SCHEMBL22642993 | 0.67 | CTSK (0.49) | CTSKCTSCBRD4KCNH2GRIN2B | |
| SCHEMBL17125407 | 0.65 | MEN1 (0.64) | KCNH2 |
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 |