Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4352633 | 0.86 | KDM4E (0.39) | SMN1; SMN2CYP2C19KDM4EATMRIPK1 | |
| SCHEMBL1274248 | 0.86 | KDM4E (0.39) | SMN1; SMN2CYP2C19KDM4EATMRIPK1 | |
| SCHEMBL17644864 | 0.85 | SMN1; SMN2 (0.39) | SMN1; SMN2CYP2C19RIPK1MAPTALDH1A1 | |
| SCHEMBL17644866 | 0.85 | SMN1; SMN2 (0.39) | SMN1; SMN2CYP2C19RIPK1MAPTALDH1A1 | |
| SCHEMBL18918308 | 0.81 | HTR2A (0.43) | CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL18918310 | 0.81 | HTR2A (0.43) | CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL18918312 | 0.81 | HTR2A (0.43) | CYP2C19KDM4EL3MBTL1 | |
| SCHEMBL531655 | 0.81 | RIPK1 (0.42) | CYP2C19KDM4EATMRIPK1LMNA | |
| SCHEMBL19305428 | 0.81 | RIPK1 (0.42) | CYP2C19KDM4EATMRIPK1LMNA | |
| SCHEMBL19305426 | 0.81 | RIPK1 (0.42) | CYP2C19KDM4EATMRIPK1LMNA |
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-1814537-A2 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006055434-A2 | MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-05-26 | — | — | WO | disclosed |