Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
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 | 1.00 | CHRNB2 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| Hydrochloric Acid SCHEMBL14840788 | 0.98 | CHRNB2 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| SCHEMBL27967474 | 0.88 | CYP46A1 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| SCHEMBL30893425 | 0.87 | HNF4A (0.53) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| SCHEMBL22728425 | 0.85 | KDM4C (0.54) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| SCHEMBL16654579 | 0.85 | BCAT2 (0.53) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| SCHEMBL7099840 | 0.84 | G6PD (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| Hydrochloric Acid SCHEMBL30692651 | 0.82 | BCAT2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| SCHEMBL3826781 | 0.81 | CHRNB2 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 | |
| SCHEMBL14841044 | 0.81 | SLC6A3 (0.51) | CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1 |
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 5 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 |
| EP-2763979-A1 | 1 - ARYLCARBONYL - 4 - OXY - PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | Takeda Pharmaceutical Company Limited (JP) | 2014-08-13 | — | — | EP | 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 |
| WO-2013054822-A1 | 1 - ARYLCARBONYL - 4 - OXY - PIPERIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-04-18 | — | — | WO | disclosed |
| WO-2003028725-A1 | 4-(1-PIPERIDINY)-BUTYLCARBOXAMIDE AS D3 DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS | Richter Gedeon Vegyészeti Gyár Rt. (HU) | 2003-04-10 | — | — | WO | disclosed |