Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL5949248 | 0.99 | CES2 (0.53) | CES2CES1NPC1RAB9AL3MBTL1 | |
| SCHEMBL6560677 | 0.90 | KCNH2 (0.49) | NPC1RAB9AL3MBTL1GSK3BHDAC3 | |
| Iodide SCHEMBL5948776 | 0.89 | KCNH2 (0.48) | NPC1RAB9AL3MBTL1GSK3BHDAC3 | |
| SCHEMBL6559659 | 0.89 | NPC1 (0.47) | NPC1RAB9AGSK3BHDAC3HDAC4 | |
| Trifluoromethanesulfonic Acid SCHEMBL5948548 | 0.88 | ACHE (0.50) | CES2CES1NPC1RAB9AL3MBTL1 | |
| SCHEMBL8103360 | 0.87 | MAPT (0.48) | CES1NPC1RAB9AL3MBTL1GSK3B | |
| Iodide SCHEMBL5949686 | 0.87 | NPC1 (0.46) | NPC1RAB9AGSK3BHDAC3HDAC4 | |
| Iodide SCHEMBL5949218 | 0.86 | MAPT (0.47) | CES1NPC1RAB9AL3MBTL1GSK3B | |
| SCHEMBL6560513 | 0.83 | NPC1 (0.59) | CES2CES1NPC1RAB9AL3MBTL1 | |
| SCHEMBL6562162 | 0.82 | KMT2A (0.53) | CES2CES1NPC1RAB9AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1050531-B1 | Pyridine and piperidine derivatives for treating neurodegenerative diseases | SERVIER LAB (FR) | 2004-11-17 | — | — | EP | disclosed |
| EP-1050531-A1 | Pyridine and piperidine derivatives for treating neurodegenerative diseases | ADIR ET COMPAGNIE (FR) | 2000-11-08 | — | — | EP | disclosed |