Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 15/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.47 |
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL2085844 | 0.83 | BACE1 (0.52) | BACE1KCNH2CTSDBACE2 | |
| SCHEMBL2084769 | 0.83 | BACE1 (0.67) | BACE1KCNH2CTSDNPSR1BACE2 | |
| SCHEMBL4002677 | 0.81 | BACE1 (0.46) | BACE1KCNH2CTSDNOS2 | |
| SCHEMBL2086521 | 0.81 | BACE1 (0.50) | BACE1KCNH2CTSDNPSR1BACE2 | |
| SCHEMBL2087801 | 0.81 | BACE1 (0.47) | BACE1KCNH2CTSDNPSR1BACE2 | |
| SCHEMBL4009065 | 0.81 | BACE1 (0.47) | BACE1KCNH2CTSDNPSR1BACE2 | |
| SCHEMBL2086917 | 0.79 | BACE1 (0.43) | BACE1KCNH2CTSDBACE2 | |
| SCHEMBL2085888 | 0.79 | BACE1 (0.43) | BACE1KCNH2CTSDNPSR1BACE2 | |
| SCHEMBL12785481 | 0.78 | BACE1 (0.43) | BACE1KCNH2CTSDBACE2 | |
| SCHEMBL2085958 | 0.78 | BACE1 (0.47) | BACE1KCNH2CTSDNPSR1BACE2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009005470-A1 | ARYL AND HETEROARYL SUBSTITUTED ISOINDOLE DERIVATIVES AS BACE INHIBITORS | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | disclosed |
| WO-2009005470-A1 | ARYL AND HETEROARYL SUBSTITUTED ISOINDOLE DERIVATIVES AS BACE INHIBITORS | ASTRAZENECA AB (SE) | 2009-01-08 | — | — | WO | disclosed |