Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 4/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | AXL | P30530 | 2/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 4/20 | 0.37 |
| ▸ | PIM1 | P11309 | 3/20 | 0.37 |
| ▸ | PRKACA | P17612 | 3/20 | 0.37 |
| ▸ | GSK3B | P49841 | 3/20 | 0.37 |
| ▸ | HIPK2 | Q9H2X6 | 3/20 | 0.37 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL733287 | 0.92 | TMEM97 (0.45) | DYRK1AOPRM1OPRL1TMEM97SIGMAR1 | |
| Citric Acid SCHEMBL735515 | 0.81 | DYRK1A (0.41) | DYRK1AOPRM1OPRL1TMEM97SIGMAR1 | |
| Citric Acid SCHEMBL735516 | 0.81 | DYRK1A (0.41) | DYRK1AOPRM1OPRL1TMEM97SIGMAR1 | |
| SCHEMBL733637 | 0.76 | SLC6A4 (0.51) | OPRM1OPRL1HTR2AHTR2CHTR1A | |
| SCHEMBL735452 | 0.74 | RIPK1 (0.41) | OPRM1OPRL1CDK1CCNB2CCNB1 | |
| SCHEMBL734778 | 0.73 | TMEM97 (0.50) | DYRK1AOPRM1OPRL1TMEM97SIGMAR1 | |
| SCHEMBL8017351 | 0.73 | HTR2C (0.51) | DYRK1ATMEM97SIGMAR1AXLNUDT1 | |
| SCHEMBL734100 | 0.73 | OPRM1 (0.40) | OPRM1OPRL1 | |
| SCHEMBL733282 | 0.69 | TMEM97 (0.46) | DYRK1AOPRM1OPRL1TMEM97SIGMAR1 | |
| SCHEMBL734179 | 0.68 | OPRM1 (0.37) | OPRM1OPRL1 |
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-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | WO | disclosed |