Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6711071 | 0.82 | CYP2D6 (0.46) | OPRM1CYP2D6CYP1A2CYP2C19MMP9 | |
| SCHEMBL8326605 | 0.74 | CYP2D6 (0.50) | OPRM1CYP2D6CYP1A2CYP2C19MMP9 | |
| SCHEMBL18602117 | 0.74 | CYP1A2 (0.50) | OPRM1CYP2D6CYP1A2CYP2C19MMP9 | |
| SCHEMBL143128 | 0.73 | MTNR1A (0.47) | CYP2D6CYP1A2CYP2C19SIGMAR1 | |
| SCHEMBL3225216 | 0.71 | MTNR1A (0.45) | CYP2D6CYP1A2CYP2C19SIGMAR1 | |
| SCHEMBL7302653 | 0.70 | HTR1B (0.43) | CYP2D6CYP1A2CYP2C19MMP9CTNNB1 | |
| SCHEMBL3244852 | 0.70 | MTNR1A (0.44) | CYP1A2CYP2C19SIGMAR1 | |
| SCHEMBL143458 | 0.69 | MTNR1A (0.49) | CYP2D6CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL9666926 | 0.69 | CYP1A2 (0.47) | OPRM1CYP2D6CYP1A2CYP2C19MMP9 | |
| Pentanal SCHEMBL8039271 | 0.69 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP2C19SIGMAR1NR1I2 |
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-1392315-A1 | METHODS OF TREATING ALZHEIMER'S DISEASE | Elan Pharmaceuticals, Inc. (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002100410-A1 | METHODS OF TREATING ALZHEIMER'S DISEASE | ELAN PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |