Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | TP53 | P04637 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.44 |
| ▸ | AR | P10275 | 4/20 | 0.44 |
| ▸ | TNKS | O95271 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.44 |
| ▸ | GABRP | O00591 | 1/20 | 0.44 |
| ▸ | GABRD | O14764 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2432882 | 0.77 | IDH1 (0.53) | CYP3A4TP53MAPTHPGDKDM4E | |
| SCHEMBL2432148 | 0.77 | ALDH1A1 (0.55) | CYP3A4TP53MAPTHPGDKDM4E | |
| SCHEMBL15316365 | 0.75 | MAOB (0.44) | CYP3A4TP53MAPTHPGDKDM4E | |
| SCHEMBL3409831 | 0.72 | MAOB (0.52) | MAPTHPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL674221 | 0.70 | CHRM2 (0.50) | CYP3A4TP53HPGDALDH1A1HSD17B10 | |
| SCHEMBL1309569 | 0.69 | CYP3A4 (0.46) | CYP3A4TP53MAPTHPGDKDM4E | |
| SCHEMBL3972917 | 0.68 | NR4A2 (0.64) | TP53MAPTHPGDKDM4EALDH1A1 | |
| SCHEMBL9138573 | 0.68 | CYP3A4 (0.67) | CYP3A4TP53MAPTHPGDKDM4E | |
| SCHEMBL31303695 | 0.68 | CYP3A4 (0.67) | CYP3A4TP53MAPTHPGDKDM4E | |
| SCHEMBL4649417 | 0.67 | CYP1B1 (0.63) | CYP3A4TP53MAPTHPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
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 | CYP3A4 124/4885TP53 3443/4885MAPT 220/4885 |
| US-20130084346-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | CYP3A4 124/4885TP53 3443/4885MAPT 220/4885 |
“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.