Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 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 | |
|---|---|---|---|---|
| SCHEMBL7493750 | 1.00 | BACE1 (0.35) | BACE1HTR2ACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7504206 | 0.79 | BACE1 (0.47) | BACE1HTR2A | |
| SCHEMBL7499439 | 0.79 | BACE1 (0.47) | BACE1HTR2A | |
| SCHEMBL7493171 | 0.79 | BACE1 (0.47) | BACE1HTR2A | |
| Hydrochloric Acid SCHEMBL7497244 | 0.78 | BACE1 (0.46) | BACE1HTR2A | |
| SCHEMBL6640348 | 0.71 | PGR (0.40) | BACE1HTR2A | |
| SCHEMBL7500428 | 0.71 | BACE1 (0.49) | BACE1HTR2A | |
| SCHEMBL7501462 | 0.68 | BACE1 (0.49) | BACE1HTR2ACYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL6634718 | 0.68 | PGR (0.38) | BACE1HTR2A | |
| SCHEMBL6637300 | 0.66 | PDE7A (0.49) | 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 |