Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.64 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.64 |
| ▸ | STIM1 | Q13586 | 5/20 | 0.58 |
| ▸ | ORAI1 | Q96D31 | 5/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.58 |
| ▸ | STS | P08842 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | RXRA | P19793 | 2/20 | 0.54 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.54 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10195868 | 0.81 | STIM1 (0.83) | KEAP1NFE2L2STIM1ORAI1CYP1B1 | |
| SCHEMBL31473222 | 0.80 | KEAP1 (0.64) | KEAP1NFE2L2STSCA12CA9 | |
| SCHEMBL23557721 | 0.79 | HSD17B1 (0.72) | KEAP1NFE2L2STIM1ORAI1CYP1B1 | |
| SCHEMBL22833938 | 0.78 | CYP1B1 (0.63) | KEAP1NFE2L2STIM1ORAI1CYP1B1 | |
| SCHEMBL14226918 | 0.78 | KEAP1 (0.59) | KEAP1NFE2L2STIM1ORAI1CYP1B1 | |
| SCHEMBL12420390 | 0.77 | KEAP1 (0.58) | KEAP1NFE2L2STIM1ORAI1CYP1B1 | |
| SCHEMBL181689 | 0.77 | STIM1 (0.85) | KEAP1NFE2L2STIM1ORAI1CYP1B1 | |
| SCHEMBL1850929 | 0.76 | MIF (0.61) | KEAP1NFE2L2STSCA12CA9 | |
| SCHEMBL23405505 | 0.76 | MAPT (0.72) | KEAP1NFE2L2STSCA12CA9 | |
| SCHEMBL14226913 | 0.76 | STIM1 (0.63) | KEAP1NFE2L2STIM1ORAI1CYP1B1 |
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 |