Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.52 |
| ▸ | KCNJ1 | P48048 | 5/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.40 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7957186 | 0.91 | HTR1A (0.47) | KCNH2KCNJ1L3MBTL1HTR1ADRD4 | |
| SCHEMBL6999087 | 0.88 | KCNH2 (0.67) | KCNH2KCNJ1HRH3DRD2DRD3 | |
| SCHEMBL6741203 | 0.84 | KCNJ1 (0.47) | KCNH2KCNJ1L3MBTL1FAAHDRD2 | |
| SCHEMBL6621946 | 0.84 | MMP12 (0.50) | KCNH2KCNJ1L3MBTL1HTR1ADRD4 | |
| SCHEMBL6618631 | 0.84 | CA12 (0.41) | FAAHHSD11B1DPP4DPP8 | |
| SCHEMBL6741315 | 0.83 | KCNJ1 (0.46) | KCNH2KCNJ1L3MBTL1FAAHDRD2 | |
| SCHEMBL6623202 | 0.81 | CCR3 (0.42) | HTR1ADRD4HTR2AHRH1OPRM1 | |
| SCHEMBL6620971 | 0.81 | HRH1 (0.41) | KCNH2L3MBTL1HTR1ADRD4HTR2A | |
| SCHEMBL6619280 | 0.80 | PGR (0.46) | — | |
| SCHEMBL6621505 | 0.79 | KCNA5 (0.48) | HRH1HRH3HRH2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |