Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.42 |
| ▸ | DRD1 | P21728 | 3/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12535867 | 0.81 | CYP2D6 (0.47) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL13180380 | 0.78 | CHRM2 (0.44) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL2760196 | 0.78 | CYP2D6 (0.55) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL4339397 | 0.78 | AOC3 (0.53) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL12888682 | 0.77 | TSHR (0.39) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL17897232 | 0.77 | CYP2D6 (0.50) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL13145774 | 0.77 | CYP2C19 (0.42) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL19468562 | 0.76 | FDPS (0.51) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL28987136 | 0.76 | TSHR (0.50) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 | |
| SCHEMBL2101892 | 0.76 | CYP2D6 (0.53) | CYP2D6CYP2C19TSHRCHRM2SLC6A2 |
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-1680424-A2 | HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS | Neurogen Corporation (US) | 2006-07-19 | — | — | EP | disclosed |
| WO-2005023806-A2 | HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2005-03-17 | — | — | WO | disclosed |