Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | DCK | P27707 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9954348 | 0.83 | PTGS1 (0.49) | ADORA2AADORA1SMN1; SMN2PTGS2MAPT | |
| SCHEMBL9955688 | 0.83 | NPSR1 (0.48) | SMN1; SMN2KDM4ENISCHMEN1KMT2A | |
| SCHEMBL2093695 | 0.83 | ALDH1A1 (0.46) | ADORA2AADORA1TRPM8KDM4EMAPT | |
| SCHEMBL11753803 | 0.82 | LMNA (0.50) | ADORA2AADORA1LMNASMN1; SMN2TRPM8 | |
| SCHEMBL11751671 | 0.79 | LMNA (0.54) | ADORA2AADORA1LMNASMN1; SMN2PTGS2 | |
| SCHEMBL6810806 | 0.79 | AR (0.51) | SMN1; SMN2MAPTMEN1KMT2ANPSR1 | |
| SCHEMBL9955315 | 0.77 | TRPM8 (0.44) | ADORA2AADORA1LMNASMN1; SMN2TRPM8 | |
| SCHEMBL11751421 | 0.76 | LMNA (0.57) | ADORA2AADORA1LMNASMN1; SMN2TRPM8 | |
| SCHEMBL9954109 | 0.74 | ADORA2A (0.45) | ADORA2AADORA1TRPM8KDM4EMAPT | |
| SCHEMBL2458840 | 0.72 | ADORA1 (0.49) | ADORA2AADORA1PTGS2KDM4E |
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 4 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 | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |