Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9956239 | 0.80 | PTGS1 (0.51) | ADORA2AADORA1HTR7NOTUMGPBAR1 | |
| SCHEMBL4511405 | 0.78 | PTGS1 (0.46) | GAA | |
| SCHEMBL9955349 | 0.77 | NOTUM (0.39) | ADORA2AADORA1NOTUMACHEMGAM | |
| SCHEMBL5541456 | 0.71 | ADORA2A (0.46) | ADORA2AADORA1HTR7NOTUMACHE | |
| SCHEMBL16720790 | 0.71 | GPBAR1 (0.50) | ADORA2AADORA1HTR7GPBAR1GAA | |
| SCHEMBL9955117 | 0.70 | ADORA2A (0.41) | ADORA2AADORA1ACHENISCHADORA2B | |
| SCHEMBL9954109 | 0.69 | ADORA2A (0.45) | ADORA2AADORA1NOTUMGPBAR1MGAM | |
| SCHEMBL6898024 | 0.68 | MAPT (0.41) | ADORA2AADORA1HTR7NOTUMGPBAR1 | |
| SCHEMBL9956316 | 0.68 | NOTUM (0.37) | NOTUMNISCHTAAR1ESR2 | |
| SCHEMBL9955132 | 0.67 | L3MBTL1 (0.41) | ADORA2AADORA1NOTUMTAAR1ESR2 |
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 | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |