Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 16/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7500428 | 0.90 | BACE1 (0.49) | BACE1HTR2A | |
| SCHEMBL7499439 | 0.80 | BACE1 (0.47) | BACE1HTR2A | |
| SCHEMBL7504206 | 0.80 | BACE1 (0.47) | BACE1HTR2A | |
| SCHEMBL7493171 | 0.80 | BACE1 (0.47) | BACE1HTR2A | |
| Hydrochloric Acid SCHEMBL7497244 | 0.79 | BACE1 (0.46) | BACE1HTR2A | |
| SCHEMBL25562920 | 0.77 | MAPK14 (0.47) | MAPK14RAF1 | |
| SCHEMBL31596433 | 0.76 | BACE1 (0.82) | BACE1HTR2A | |
| SCHEMBL5004601 | 0.76 | BACE1 (0.82) | BACE1HTR2A | |
| Hydrochloric Acid SCHEMBL6639413 | 0.75 | BACE1 (0.79) | BACE1HTR2A | |
| SCHEMBL7496310 | 0.72 | BACE1 (0.47) | BACE1HTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1202994-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-05-08 | — | — | EP | claimed |
| WO-2001005790-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2001-01-25 | — | — | WO | claimed |
| EP-1202994-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001005790-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 2001-01-25 | — | — | WO | disclosed |