Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21081470 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL4740994 | 1.00 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL28743015 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL8517083 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL265774 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL7923429 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL367454 | 0.83 | CYP3A4 (0.66) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL27637057 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9CES1CES2AKR1B1 | |
| SCHEMBL27965036 | 0.82 | CA2 (0.59) | FNTAFNTBCTBP2 | |
| SCHEMBL27637055 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP2C9CES1CES2AKR1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740581-A4 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO INC (US) | 2008-01-23 | — | — | EP | disclosed |
| EP-1740581-A1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER\"S DISEASE | Merck and Co., Inc. (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103043-A1 | 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE | MERCK & CO., INC. (US) | 2005-11-03 | — | — | WO | disclosed |