Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 8/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.42 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 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 | |
|---|---|---|---|---|
| SCHEMBL2434599 | 0.86 | COMT (0.66) | COMTPTGER1MRGPRX4 | |
| SCHEMBL14471452 | 0.83 | PTGER1 (0.44) | COMTPTGER1MRGPRX4MGLLPTPN1 | |
| SCHEMBL2432005 | 0.82 | COMT (0.51) | COMTPTGER1MRGPRX4PTPN1NR4A2 | |
| SCHEMBL2467412 | 0.82 | COMT (0.61) | COMTPTGER1MRGPRX4 | |
| SCHEMBL2467490 | 0.81 | COMT (0.45) | COMTPTGER1MRGPRX4PTPN1NR4A2 | |
| SCHEMBL2464003 | 0.79 | COMT (0.44) | COMTPTGER1 | |
| SCHEMBL2468249 | 0.79 | COMT (0.43) | COMTPTGER1MRGPRX4PTPN1 | |
| SCHEMBL2467487 | 0.79 | COMT (0.45) | COMTPTGER1MRGPRX4PTGER4PTGER3 | |
| SCHEMBL2468322 | 0.77 | PTGER1 (0.43) | COMTPTGER1MRGPRX4PTPN1NR4A2 | |
| SCHEMBL2465928 | 0.77 | COMT (0.42) | COMTPTGER1MRGPRX4PTPN1 |
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-2542076-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | disclosed |
| 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 |