Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 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 | |
|---|---|---|---|---|
| SCHEMBL16244122 | 0.79 | ESR1 (0.45) | SLC6A3SLC6A2SLC6A4DRD3 | |
| SCHEMBL51979 | 0.78 | CHRM2 (0.42) | — | |
| SCHEMBL8134333 | 0.75 | TSHR (0.41) | DRD2DRD3ALDH1A1TSHR | |
| SCHEMBL30468718 | 0.72 | CYP19A1 (0.49) | SLC6A3CYP2A6CYP19A1ALDH1A1TSHR | |
| SCHEMBL18432620 | 0.72 | CYP2A6 (0.48) | SLC6A3CYP2A6CYP19A1ALDH1A1TSHR | |
| SCHEMBL18552777 | 0.71 | CYP2A6 (0.47) | SLC6A3CYP2A6CYP19A1ALDH1A1TSHR | |
| SCHEMBL11479738 | 0.70 | CYP19A1 (0.36) | CYP2A6SLC6A2SLC6A4CYP19A1HRH3 | |
| SCHEMBL14162362 | 0.69 | CYP2A6 (0.45) | SLC6A3CYP2A6CYP19A1ALDH1A1TSHR | |
| SCHEMBL28384720 | 0.69 | CHRM2 (0.40) | SLC6A3SLC6A2SLC6A4CYP19A1ALDH1A1 | |
| SCHEMBL6622758 | 0.69 | KCNJ1 (0.46) | CYP2A6SLC6A2SLC6A4CYP19A1HRH3 |
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-1047695-B1 | NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS | ASTRAZENECA AB (SE) | 2004-03-17 | — | — | EP | disclosed |
| US-6291475-B1 | 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-09-18 | — | — | US | disclosed |
| EP-1047695-A1 | NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS | AstraZeneca AB (SE) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999031100-A1 | NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS | ASTRAZENECA AB (SE) | 1999-06-24 | — | — | WO | disclosed |