Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5800695 | 0.85 | ESR1 (0.37) | ESR1ESR2DRD2DRD1HTR2C | |
| SCHEMBL5799245 | 0.85 | ESR1 (0.37) | ESR1ESR2HTR2CSLC6A4KDM2B | |
| SCHEMBL5802150 | 0.82 | HTR6 (0.47) | ESR1ESR2IDO1MTNR1A | |
| SCHEMBL5798616 | 0.78 | ESR1 (0.37) | ESR1ESR2SLC6A4KDM2BIDO1 | |
| SCHEMBL1340040 | 0.71 | ESR1 (0.38) | ESR1ESR2DRD2DRD1HTR2C | |
| SCHEMBL5801954 | 0.70 | MTNR1A (0.50) | MTNR1A | |
| SCHEMBL6185230 | 0.68 | — | — | |
| SCHEMBL28748207 | 0.68 | ESR1 (0.36) | ESR1ESR2DRD2DRD1HTR2C | |
| SCHEMBL5799895 | 0.66 | HTR6 (0.47) | ESR1ESR2IDO1MTNR1A | |
| SCHEMBL28746633 | 0.66 | ESR1 (0.36) | ESR1ESR2DRD2DRD1HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006036404-A1 | 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYLOALKYLMETHYL) IMIDAZOL-2-ONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2006-04-06 | — | — | WO | disclosed |