Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 20/20 | 0.57 |
| ▸ | HCRTR2 | O43614 | 20/20 | 0.57 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9956946 | 0.91 | HCRTR1 (0.60) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL9957422 | 0.91 | HCRTR1 (0.60) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL9956935 | 0.87 | HCRTR1 (0.60) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL9957085 | 0.87 | HCRTR1 (0.60) | HCRTR1HCRTR2NR1I2ADRA2BKCNH2 | |
| SCHEMBL9955069 | 0.86 | HCRTR1 (0.59) | HCRTR1HCRTR2 | |
| SCHEMBL9958049 | 0.82 | HCRTR1 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL9957405 | 0.80 | HCRTR1 (0.60) | HCRTR1HCRTR2 | |
| SCHEMBL9957715 | 0.80 | HCRTR1 (0.60) | HCRTR1HCRTR2 | |
| SCHEMBL9957747 | 0.79 | HCRTR2 (0.44) | HCRTR1HCRTR2 | |
| SCHEMBL9956505 | 0.77 | HCRTR1 (0.64) | HCRTR1HCRTR2 |
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-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | claimed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |