Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PRCP | P42785 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29391653 | 0.83 | BACE1 (0.32) | SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL29392057 | 0.80 | PARP1 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL29389384 | 0.80 | PARP1 (0.32) | — | |
| SCHEMBL1748796 | 0.80 | HTR2A (0.32) | — | |
| SCHEMBL1748458 | 0.80 | HTR2A (0.32) | — | |
| Hydrochloric Acid SCHEMBL7008388 | 0.78 | HTR2A (0.34) | — | |
| Trifluoroacetic Acid SCHEMBL928724 | 0.73 | CCR5 (0.47) | SLC6A2SLC6A4SLC6A3CHRNA7CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL48017 | 0.73 | MAN1B1 (0.36) | SLC6A2SLC6A4SLC6A3CHRNA7CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL2895465 | 0.73 | CHRNA7 (0.36) | SLC6A2SLC6A4SLC6A3CHRNA7CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL4831016 | 0.73 | CCR5 (0.47) | SLC6A2SLC6A4SLC6A3CHRNA7CYP1A2 |
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-1360187-A1 | 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS | AstraZeneca AB (SE) | 2003-11-12 | — | — | EP | disclosed |
| WO-2002060902-A1 | 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS | ASTRAZENECA AB (SE) | 2002-08-08 | — | — | WO | disclosed |