Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 6/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 5/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8136252 | 0.85 | COMT (0.56) | COMTFGFR1 | |
| SCHEMBL14827207 | 0.80 | COMT (0.71) | COMT | |
| SCHEMBL6900184 | 0.79 | COMT (0.63) | COMT | |
| SCHEMBL1158214 | 0.78 | COMT (0.56) | COMTELANEFGFR1SRC | |
| SCHEMBL1157996 | 0.77 | COMT (1.00) | COMT | |
| SCHEMBL2434599 | 0.76 | COMT (0.66) | COMTSRC | |
| SCHEMBL8138025 | 0.75 | COMT (0.47) | COMT | |
| SCHEMBL2467889 | 0.75 | COMT (0.49) | COMT | |
| SCHEMBL8136432 | 0.72 | PTPN11 (0.41) | COMTFGFR1 | |
| SCHEMBL28501968 | 0.71 | COMT (0.45) | COMTL3MBTL1 |
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-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |