Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 10/20 | 0.49 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2023115 | 1.00 | BACE1 (0.49) | BACE1BACE2LMNATSHRNPSR1 | |
| SCHEMBL2027658 | 0.87 | BACE1 (0.42) | BACE1BACE2ALDH1A1SMN1; SMN2CDC7 | |
| SCHEMBL2025874 | 0.87 | BACE1 (0.42) | BACE1BACE2ALDH1A1SMN1; SMN2CDC7 | |
| SCHEMBL4942412 | 0.84 | BACE1 (0.49) | BACE1BACE2TSHRHPGDSMN1; SMN2 | |
| SCHEMBL4939179 | 0.84 | BACE1 (0.49) | BACE1BACE2TSHRHPGDSMN1; SMN2 | |
| SCHEMBL2018791 | 0.83 | BACE1 (0.43) | BACE1BACE2LMNATSHRNPSR1 | |
| SCHEMBL2018789 | 0.83 | BACE1 (0.43) | BACE1BACE2LMNATSHRNPSR1 | |
| SCHEMBL2022702 | 0.83 | BACE1 (0.36) | BACE1BACE2LMNATSHRNPSR1 | |
| SCHEMBL2022701 | 0.83 | BACE1 (0.36) | BACE1BACE2LMNATSHRNPSR1 | |
| SCHEMBL3589986 | 0.82 | BACE1 (0.57) | BACE1BACE2LMNATSHRNPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968571-B2 | 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease | Merck, Sharp & Dohme, Corp. (US) | 2011-06-28 | — | — | US | disclosed |