Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.30 |
| ▸ | HTR2C | P28335 | 4/20 | 0.30 |
| ▸ | HTR2B | P41595 | 4/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL5798877 | 0.86 | HTR2A (0.33) | HTR2AHTR2CHTR2B | |
| SCHEMBL24095373 | 0.64 | ADRA1A (0.38) | HTR2AHTR2CHTR2BKCNH2 | |
| Hydrochloric Acid SCHEMBL25243090 | 0.62 | ADRA1A (0.37) | HTR2AHTR2CHTR2BKCNH2 | |
| SCHEMBL12060377 | 0.61 | HTR2A (0.33) | HTR2AHTR2CHTR2BKCNH2 | |
| SCHEMBL28972064 | 0.56 | — | — | |
| SCHEMBL1339980 | 0.55 | HTR2A (0.34) | HTR2AHTR2CHTR2B | |
| SCHEMBL3777343 | 0.54 | PNMT (0.43) | HTR2AHTR2CHTR2B | |
| SCHEMBL22102574 | 0.54 | PNMT (0.43) | HTR2AHTR2CHTR2B | |
| SCHEMBL23022301 | 0.53 | PNMT (0.53) | HTR2AHTR2CHTR2B | |
| SCHEMBL6681654 | 0.52 | ALDH1A1 (0.48) | — |
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 |