Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.32 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL15545467 | 0.90 | KCNH2 (0.41) | KCNH2ALDH1A1CNR2IDH1CYP17A1 | |
| SCHEMBL15546001 | 0.78 | SMN1; SMN2 (0.46) | KCNH2ALDH1A1CNR2KDM4ETSHR | |
| SCHEMBL15544668 | 0.73 | ALDH1A1 (0.43) | ALDH1A1EPHX2CYP17A1CYP19A1KDM4E | |
| SCHEMBL15544852 | 0.73 | LMNA (0.43) | ALDH1A1EPHX2CYP17A1CYP19A1KDM4E | |
| SCHEMBL15544370 | 0.72 | CNR2 (0.41) | ALDH1A1CNR2CYP17A1CYP19A1TSHR | |
| SCHEMBL15545052 | 0.72 | P2RX4 (0.39) | ALDH1A1CNR2CYP17A1CYP19A1KDM4E | |
| SCHEMBL15544373 | 0.70 | FAAH (0.48) | ALDH1A1CNR2EPHX2KDM4ETSHR | |
| SCHEMBL27862075 | 0.70 | ALDH1A1 (0.46) | KCNH2ALDH1A1EPHX2PRMT5WDR77 | |
| SCHEMBL15545061 | 0.69 | P2RX7 (0.41) | ALDH1A1CNR2EPHX2LMNA | |
| SCHEMBL15545632 | 0.69 | P2RX7 (0.41) | ALDH1A1CNR2IDH1EPHX2LMNA |
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 |