Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 4/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | FNTA | P49354 | 2/20 | 0.32 |
| ▸ | FNTB | P49356 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.32 |
| ▸ | HTR1B | P28222 | 1/20 | 0.32 |
| ▸ | HTR1F | P30939 | 1/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL3402799 | 0.87 | BCHE (0.38) | BCHEADORA2AADORA1HTR6UTS2R | |
| SCHEMBL3409320 | 0.87 | HTR6 (0.38) | ACHEHTR6 | |
| SCHEMBL4103600 | 0.81 | OPRM1 (0.36) | BCHECYP3A4MAPTADORA2AADORA1 | |
| SCHEMBL3405079 | 0.81 | OPRM1 (0.41) | MAPTADORA2AADORA1FNTAFNTB | |
| SCHEMBL3402803 | 0.77 | KDM4E (0.31) | CYP3A4MAPT | |
| SCHEMBL3402459 | 0.74 | OPRL1 (0.41) | HTR6 | |
| SCHEMBL3402449 | 0.74 | MEN1 (0.36) | BCHEMAPTDRD2HTR2AHTR2C | |
| SCHEMBL3406714 | 0.74 | OPRM1 (0.47) | — | |
| SCHEMBL4094827 | 0.73 | HTR6 (0.37) | ACHEADORA2AADORA1HTR6FNTA | |
| SCHEMBL3404781 | 0.73 | OPRL1 (0.39) | — |
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-2254864-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN | Grünenthal GmbH (DE) | 2010-12-01 | — | — | EP | claimed |
| WO-2009106307-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN | Grünenthal GmbH (DE) | 2009-09-03 | — | — | WO | claimed |