Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 3/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.50 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.50 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | TEK | Q02763 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29525092 | 0.88 | CHRNB2 (0.52) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7053092 | 0.88 | CHRNB2 (0.52) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL16654579 | 0.86 | BCAT2 (0.53) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL22728425 | 0.86 | KDM4C (0.54) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL14840788 | 0.86 | CHRNB2 (0.51) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL30692651 | 0.83 | BCAT2 (0.50) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL3826781 | 0.82 | CHRNB2 (0.55) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL14841044 | 0.82 | SLC6A3 (0.51) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL10601314 | 0.80 | MAPK9 (0.43) | CYP46A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9202323 | 0.79 | KDM4E (0.50) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 |
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-103842356-B | For treating 1 aryl carbonyl, the 4 Oxypertine compound of neurodegenerative disease | 武田药品工业株式会社 | 2017-03-15 | — | — | CN | disclosed |
| CN-103842356-A | 1 - arylcarbonyl - 4 - oxy - piperidine compounds useful for the treatment of neurodegenerative diseases | TAKAEDA CHEMICAL IND LTD | 2014-06-04 | — | — | CN | disclosed |