Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | CTSC | P53634 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 14/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL17794957 | 0.82 | CHRM1 (0.59) | CHRM1CHRM5NAAA | |
| SCHEMBL22135456 | 0.80 | KCNH2 (0.45) | CHRM1CHRM5KCNH2GRIN2B | |
| SCHEMBL19155286 | 0.77 | CTSK (0.48) | CTSKCTSCCHRM1CHRM5KCNH2 | |
| SCHEMBL15471657 | 0.77 | ESR1 (0.46) | — | |
| SCHEMBL19368060 | 0.74 | FEN1 (0.51) | CTSKCTSCCHRM1CHRM5KCNH2 | |
| SCHEMBL24958712 | 0.73 | BRD4 (0.45) | CTSKCTSCCHRM1CHRM5NAAA | |
| SCHEMBL19155381 | 0.72 | CTSC (0.49) | CTSCCHRM1CHRM5 | |
| SCHEMBL19368289 | 0.72 | CTSC (0.52) | CTSKCTSCCHRM1CHRM5KCNH2 | |
| SCHEMBL19368384 | 0.72 | CTSC (0.53) | CTSKCTSCCHRM1CHRM5KCNH2 | |
| SCHEMBL19155220 | 0.72 | CTSK (0.53) | CTSKCTSCCHRM1KCNH2GRIN2B |
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 |