Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 10/20 | 0.65 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 5/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.37 |
| ▸ | LCK | P06239 | 2/20 | 0.37 |
| ▸ | RET | P07949 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.37 |
| ▸ | BLK | P51451 | 2/20 | 0.37 |
| ▸ | STK3 | Q13188 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.37 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.37 |
| ▸ | HIPK4 | Q8NE63 | 2/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.37 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6901676 | 0.85 | COMT (0.61) | COMTPIK3CDPIK3CAPIK3CBKDR | |
| SCHEMBL6901972 | 0.82 | COMT (0.65) | COMT | |
| SCHEMBL6899325 | 0.81 | COMT (0.62) | COMT | |
| SCHEMBL2439128 | 0.80 | COMT (1.00) | COMT | |
| SCHEMBL14815701 | 0.80 | COMT (0.76) | COMT | |
| SCHEMBL6900191 | 0.78 | COMT (0.65) | COMT | |
| SCHEMBL6901028 | 0.77 | COMT (0.84) | COMT | |
| SCHEMBL6901025 | 0.77 | COMT (0.83) | COMT | |
| SCHEMBL2429432 | 0.77 | COMT (0.64) | COMT | |
| SCHEMBL6899100 | 0.76 | COMT (0.63) | COMTMET |
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 13 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-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-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-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-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-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-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 |
| 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 |
| 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 1/4885PIK3CD 1991/4885PIK3CA 1701/4885 |
| US-20130084346-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | COMT 1/4885PIK3CD 1991/4885PIK3CA 1701/4885 |
“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.