Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22283824 | 0.74 | CYP1A2 (0.38) | CHRNB2CHRNA7CHRNA4CYP1A2ALDH1A1 | |
| SCHEMBL28115286 | 0.72 | CHRNB2 (0.34) | CHRNB2CHRNA7CHRNA4CYP1A2 | |
| SCHEMBL9688095 | 0.69 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4CYP1A2ALDH1A1 | |
| SCHEMBL9688088 | 0.69 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4CYP1A2ALDH1A1 | |
| SCHEMBL9688093 | 0.69 | CHRNB2 (0.47) | CHRNB2CHRNA7CHRNA4CYP1A2ALDH1A1 | |
| SCHEMBL8593927 | 0.67 | CYP1A2 (0.40) | CHRNB2CHRNA7CHRNA4CYP1A2ALDH1A1 | |
| SCHEMBL9965482 | 0.67 | ELANE (0.39) | — | |
| SCHEMBL10174353 | 0.67 | ELANE (0.39) | — | |
| SCHEMBL3635011 | 0.67 | OPRK1 (0.33) | — | |
| SCHEMBL18535663 | 0.64 | DRD2 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106083704-B | Application of-two aryl methylene-N- cyclopropyl piperidine -4- ketone compounds of 3,5- (E) as Hsp90 inhibitor | 福建医科大学 | 2018-07-27 | — | — | CN | disclosed |
| CN-106083704-A | 3,5 (E) two aryl methylene N cyclopropyl piperidine 4 ketone compounds is as the application of Hsp90 inhibitor | 福建医科大学 | 2016-11-09 | — | — | CN | disclosed |