Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15544370 | 0.84 | CNR2 (0.41) | ALDH1A1P2RX7LMNAKCNQ3KCNQ2 | |
| SCHEMBL15544852 | 0.80 | LMNA (0.43) | ALDH1A1P2RX7LMNASMN1; SMN2NPSR1 | |
| SCHEMBL15544668 | 0.80 | ALDH1A1 (0.43) | ALDH1A1P2RX7LMNASMN1; SMN2NPSR1 | |
| SCHEMBL15545052 | 0.78 | P2RX4 (0.39) | ALDH1A1P2RX7LMNACYP17A1CYP19A1 | |
| SCHEMBL15544868 | 0.78 | KCNQ3 (0.35) | ALDH1A1P2RX7LMNAKCNQ3KCNQ2 | |
| SCHEMBL15545277 | 0.78 | SMN1; SMN2 (0.47) | P2RX7KCNQ3KCNQ2SMN1; SMN2CYP17A1 | |
| SCHEMBL15545467 | 0.77 | KCNH2 (0.41) | ALDH1A1P2RX7CYP17A1CYP19A1CNR2 | |
| SCHEMBL15545879 | 0.75 | ALDH1A1 (0.44) | ALDH1A1P2RX7LMNASMN1; SMN2NPSR1 | |
| SCHEMBL15544368 | 0.75 | ALDH1A1 (0.44) | ALDH1A1P2RX7LMNASMN1; SMN2NPSR1 | |
| SCHEMBL15545182 | 0.69 | KCNH2 (0.42) | ALDH1A1LMNACYP17A1CYP19A1POLB |
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 |