Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.40 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15544668 | 0.82 | ALDH1A1 (0.43) | SMN1; SMN2EPHX2CYP17A1CYP19A1P2RX4 | |
| SCHEMBL4980558 | 0.79 | CHRNB2 (0.43) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL15545602 | 0.78 | ALDH1A1 (0.35) | SMN1; SMN2CNR2KCNQ3KCNQ2CHRNB2 | |
| SCHEMBL15545467 | 0.78 | KCNH2 (0.41) | CNR2CYP17A1CYP19A1P2RX7KDM4E | |
| SCHEMBL15545879 | 0.77 | ALDH1A1 (0.44) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL15544370 | 0.76 | CNR2 (0.41) | SMN1; SMN2CNR2KCNQ3KCNQ2CHRNB2 | |
| SCHEMBL15544852 | 0.74 | LMNA (0.43) | SMN1; SMN2EPHX2CHRNB2CHRNA4CYP17A1 | |
| SCHEMBL15545052 | 0.73 | P2RX4 (0.39) | CNR2CYP17A1CYP19A1P2RX4P2RX7 | |
| SCHEMBL15544368 | 0.70 | ALDH1A1 (0.44) | SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3 | |
| SCHEMBL15545182 | 0.69 | KCNH2 (0.42) | CNR2EPHX2CYP17A1CYP19A1KDM4E |
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-2870139-A1 | NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS | F. Hoffmann-La Roche AG (CH) | 2015-05-13 | — | — | EP | disclosed |
| WO-2014005968-A1 | NOVEL ADAMANTYL DERIVATIVES AS CANNABINOID RECEPTOR 2 AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-01-09 | — | — | WO | disclosed |