Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 20/20 | 0.79 |
| ▸ | HCRTR1 | O43613 | 19/20 | 0.79 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9959923 | 1.00 | HCRTR2 (0.79) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL9955306 | 0.92 | HCRTR2 (0.89) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL9955310 | 0.92 | HCRTR2 (0.89) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL1673273 | 0.88 | HCRTR2 (1.00) | HCRTR2HCRTR1 | |
| SCHEMBL1672576 | 0.87 | HCRTR2 (1.00) | HCRTR2HCRTR1 | |
| SCHEMBL1672253 | 0.84 | HCRTR2 (1.00) | HCRTR2HCRTR1 | |
| SCHEMBL9960039 | 0.83 | HCRTR1 (0.74) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL1671673 | 0.81 | HCRTR2 (1.00) | HCRTR2HCRTR1 | |
| SCHEMBL1673213 | 0.81 | HCRTR2 (1.00) | HCRTR2HCRTR1 | |
| SCHEMBL9956773 | 0.80 | HCRTR1 (0.81) | HCRTR2HCRTR1 |
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-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | claimed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |