Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15545182 | 0.90 | KCNH2 (0.42) | KCNH2CNR2ALDH1A1CYP17A1CYP19A1 | |
| SCHEMBL15546001 | 0.87 | SMN1; SMN2 (0.46) | KCNH2CNR2ALDH1A1KDM4EP2RX7 | |
| SCHEMBL15544852 | 0.82 | LMNA (0.43) | ALDH1A1CYP17A1CYP19A1KDM4EP2RX7 | |
| SCHEMBL15544668 | 0.82 | ALDH1A1 (0.43) | ALDH1A1CYP17A1CYP19A1KDM4EP2RX7 | |
| SCHEMBL15545052 | 0.81 | P2RX4 (0.39) | CNR2ALDH1A1CYP17A1CYP19A1KDM4E | |
| SCHEMBL15544370 | 0.81 | CNR2 (0.41) | CNR2ALDH1A1CYP17A1CYP19A1P2RX7 | |
| SCHEMBL15544373 | 0.79 | FAAH (0.48) | CNR2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL15545061 | 0.78 | P2RX7 (0.41) | CNR2ALDH1A1P2RX7MAPTRAB9A | |
| SCHEMBL15545632 | 0.78 | P2RX7 (0.41) | CNR2ALDH1A1P2RX7IDH1MAPT | |
| SCHEMBL15545277 | 0.78 | SMN1; SMN2 (0.47) | CNR2CYP17A1CYP19A1KDM4EP2RX7 |
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 |