Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 14/20 | 0.61 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.34 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.34 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2432796 | 0.76 | COMT (1.00) | COMTFAAHALDH1A1HSP90AA1PKM | |
| SCHEMBL2463252 | 0.72 | COMT (1.00) | COMTFAAHALDH1A1HSP90AA1PKM | |
| SCHEMBL6900197 | 0.67 | COMT (0.52) | COMT | |
| SCHEMBL14471451 | 0.66 | COMT (0.63) | COMT | |
| SCHEMBL2469729 | 0.66 | MAPK14 (0.43) | COMTFAAHALDH1A1HSP90AA1PKM | |
| SCHEMBL2467409 | 0.63 | COMT (1.00) | COMTFAAHALDH1A1HSP90AA1PKM | |
| SCHEMBL14816337 | 0.62 | COMT (0.60) | COMTFAAHALDH1A1HSP90AA1PKM | |
| SCHEMBL6900202 | 0.62 | COMT (0.60) | COMTFAAHALDH1A1HSP90AA1PKM | |
| SCHEMBL2464097 | 0.62 | COMT (0.58) | COMTFAAHALDH1A1HSP90AA1PKM | |
| SCHEMBL27479253 | 0.62 | COMT (0.54) | COMTFAAHALDH1A1HSP90AA1PKM |
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 |