Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 13/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 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 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPY1R | P25929 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2464097 | 0.82 | COMT (0.58) | COMTALDH1A1FAAHHSP90AA1PKM | |
| SCHEMBL6901759 | 0.81 | COMT (0.60) | COMTFAAHHRH3PTPN11 | |
| SCHEMBL6901895 | 0.80 | COMT (0.46) | COMTALDH1A1FAAHHSP90AA1PKM | |
| SCHEMBL6899328 | 0.78 | COMT (0.44) | COMTALDH1A1FAAHHSP90AA1PKM | |
| SCHEMBL6900184 | 0.78 | COMT (0.63) | COMTPTPN11 | |
| SCHEMBL14827204 | 0.76 | COMT (0.70) | COMTALDH1A1FAAHHSP90AA1PKM | |
| SCHEMBL2463252 | 0.72 | COMT (1.00) | COMTALDH1A1FAAHHSP90AA1PKM | |
| SCHEMBL6915411 | 0.71 | BRD4 (0.49) | COMTALDH1A1HRH3PTPN11 | |
| SCHEMBL6899338 | 0.71 | CNR2 (0.48) | COMTALDH1A1ATML3MBTL1 | |
| SCHEMBL6900023 | 0.70 | COMT (0.40) | COMTPTPN11 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9399651-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | Merck, Sharp & Dohme Corp. (US) | 2016-07-26 | — | — | US | disclosed |
| US-20150299227-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | US | disclosed |
| US-9024032-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2015-05-05 | — | — | US | disclosed |
| US-20130084346-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME LLC | 2013-04-04 | — | — | US | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150299227-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | COMT 1/4885ALDH1A1 186/4885FAAH 2112/4885 |
| US-20130084346-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | COMT 1/4885ALDH1A1 186/4885FAAH 2112/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.