Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 8/20 | 0.47 |
| ▸ | HTR7 | P34969 | 8/20 | 0.47 |
| ▸ | HTR2B | P41595 | 8/20 | 0.47 |
| ▸ | HTR5A | P47898 | 7/20 | 0.47 |
| ▸ | HTR6 | P50406 | 7/20 | 0.47 |
| ▸ | HTR1D | P28221 | 6/20 | 0.47 |
| ▸ | HTR1B | P28222 | 6/20 | 0.47 |
| ▸ | HTR2A | P28223 | 6/20 | 0.47 |
| ▸ | HTR2C | P28335 | 6/20 | 0.47 |
| ▸ | HTR1E | P28566 | 4/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6269721 | 0.85 | HTR1A (0.56) | HTR1AHTR7HTR2BHTR5AHTR6 | |
| SCHEMBL18516342 | 0.83 | HTR1A (0.54) | HTR1AHTR7HTR2BHTR5AHTR6 | |
| 1,2-Dimethoxybenzene SCHEMBL28073321 | 0.83 | CA1 (0.62) | P2RX7CA12CA1CA2CA4 | |
| SCHEMBL27695445 | 0.83 | AMY1A (0.46) | P2RX7HTR7 | |
| SCHEMBL4228781 | 0.82 | APP (0.53) | HTR1AHTR7HTR2BHTR5AHTR6 | |
| SCHEMBL30772335 | 0.81 | CA12 (0.50) | P2RX7CA12CA1CA2CA4 | |
| SCHEMBL78713 | 0.81 | CA12 (0.50) | P2RX7CA12CA1CA2CA4 | |
| SCHEMBL301996 | 0.80 | CA1 (0.71) | HTR7APPCA12CA1CA2 | |
| SCHEMBL29788337 | 0.80 | CA1 (0.71) | HTR7APPCA12CA1CA2 | |
| SCHEMBL29429633 | 0.80 | CA1 (0.71) | HTR7APPCA12CA1CA2 |
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-1871759-A1 | BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF | Wyeth a Corporation of the State of Delaware (US) | 2008-01-02 | — | — | EP | disclosed |
| WO-2006116158-A1 | BENZODIOXANE AND BENZODIOXOLANE DERIVATIVES AND USES THEREOF | WYETH (US) | 2006-11-02 | — | — | WO | disclosed |