Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3942643 | 1.00 | SMN1; SMN2 (0.39) | SMN1; SMN2CTSDBACE1BACE2CHRNB2 | |
| SCHEMBL4020718 | 0.85 | CTSD (0.39) | SMN1; SMN2CTSDBACE1BACE2CHRNB2 | |
| SCHEMBL4020947 | 0.84 | BTK (0.45) | SMN1; SMN2CTSDBACE1BACE2SSTR4 | |
| SCHEMBL20047644 | 0.82 | CHRNB2 (0.43) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL20043197 | 0.82 | CHRNB2 (0.43) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL20351887 | 0.82 | CHRNB2 (0.43) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL8142768 | 0.80 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL8138930 | 0.80 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL15443019 | 0.77 | SMN1; SMN2 (0.40) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL20047572 | 0.76 | ALDH1A1 (0.38) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009013293-A1 | SUBSTITUTED CYCLOHEXANECARBOXAMIDES USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2009-01-29 | — | — | WO | disclosed |