Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 3/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4664795 | 0.77 | GRM1 (0.49) | GRM1GRM5CYP2D6BCHEACHE | |
| SCHEMBL7711872 | 0.76 | GRM1 (0.53) | GRM1GRM5CYP2D6BCHEACHE | |
| SCHEMBL7711972 | 0.72 | GRM5 (0.36) | GRM1GRM5CYP2D6CYP2C19 | |
| SCHEMBL8340352 | 0.69 | GRM5 (0.34) | GRM1GRM5CYP2D6BCHETSHR | |
| SCHEMBL28754501 | 0.69 | GRM1 (0.42) | GRM1GRM5CYP2D6BCHEACHE | |
| SCHEMBL11055807 | 0.68 | GRM5 (0.53) | GRM1GRM5CYP2D6LMNA | |
| SCHEMBL5756547 | 0.64 | GRM1 (0.51) | GRM1GRM5CYP2D6BCHEACHE | |
| SCHEMBL751446 | 0.63 | GRM1 (0.50) | GRM1GRM5CYP2D6BCHEACHE | |
| SCHEMBL16617866 | 0.63 | CYP2D6 (0.56) | GRM1GRM5CYP2D6BCHEACHE | |
| SCHEMBL8386890 | 0.63 | MAPK1 (0.41) | GRM1GRM5CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6784202-B1 | EXEMPLIFIED BY 4-CARBOXYCUBANE-1-THIOXANTHYL L-GLYCINE FOR TREATMENT OF PSYCHIATRIC AND NERVOUS SYSTEM DISORDERS | PRESCIENT NEUROPHARMA INC. (CA) | 2004-08-31 | — | — | US | disclosed |