Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 13/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 10/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16916826 | 0.72 | GSK3B (0.33) | — | |
| Hydrochloric Acid SCHEMBL21521543 | 0.72 | ADRA2A (0.38) | CYP2D6CXCR4CYP3A4CHRM3CHRM2 | |
| Hydrochloric Acid SCHEMBL30439443 | 0.72 | ADRA2A (0.38) | CYP2D6CXCR4CYP3A4CHRM3CHRM2 | |
| SCHEMBL13245793 | 0.70 | CXCR4 (0.36) | CYP2D6CXCR4CYP3A4CHRM3CYP2C8 | |
| SCHEMBL7633797 | 0.69 | DRD2 (0.43) | CYP2D6CXCR4CYP3A4DRD2CYP2C8 | |
| SCHEMBL1567832 | 0.67 | HTR2A (0.46) | CYP2D6CYP3A4 | |
| SCHEMBL19153317 | 0.67 | HTR2C (0.39) | CYP2D6CYP3A4 | |
| SCHEMBL31569558 | 0.67 | HTR2C (0.39) | CYP2D6CYP3A4 | |
| SCHEMBL14012293 | 0.67 | ANPEP (0.43) | CXCR4KCNH2 | |
| SCHEMBL30487204 | 0.67 | ANPEP (0.43) | CXCR4KCNH2 |
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-2010056194-A1 | 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | claimed |
| WO-2010056194-A1 | 5H-PYRROLO [ 3, 4-B] PYRIDIN DERIVATIVES AND THEIR USE | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | disclosed |