Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 13/20 | 0.50 |
| ▸ | METAP2 | P50579 | 2/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.39 |
| ▸ | ERBB4 | Q15303 | 2/20 | 0.39 |
| ▸ | TEC | P42680 | 1/20 | 0.39 |
| ▸ | TXK | P42681 | 1/20 | 0.39 |
| ▸ | BLK | P51451 | 1/20 | 0.39 |
| ▸ | BMX | P51813 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| SCHEMBL14816321 | 0.84 | METAP2 (0.46) | COMTMETAP2ERBB2ERBB4TEC | |
| SCHEMBL2429630 | 0.80 | COMT (0.63) | COMTMETAP2ERBB2ERBB4TEC | |
| SCHEMBL2432096 | 0.77 | COMT (0.57) | COMTMETAP2ERBB2ERBB4TEC | |
| SCHEMBL22878773 | 0.69 | BTK (0.37) | COMTMETAP2ERBB2ERBB4TEC | |
| SCHEMBL17184567 | 0.67 | METAP2 (0.40) | COMTMETAP2ERBB2ERBB4AURKA | |
| SCHEMBL2468269 | 0.67 | COMT (0.48) | COMTMETAP2FLT3BRD4ABL1 | |
| SCHEMBL17184566 | 0.67 | METAP2 (0.35) | COMTMETAP2ERBB2ERBB4TEC | |
| SCHEMBL6898808 | 0.66 | COMT (0.71) | COMT | |
| SCHEMBL14784319 | 0.66 | METAP2 (1.00) | METAP2ERBB2ERBB4AURKAROCK2 | |
| SCHEMBL6899100 | 0.65 | COMT (0.63) | COMTMETAP2 |
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 4 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 | claimed |
| 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 | claimed |
| 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 |