Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL2466390 | 0.83 | BRD4 (0.52) | BRD4ALDH1A1KDM4EGAAGLA | |
| SCHEMBL6916751 | 0.80 | MAPT (0.46) | BRD4ALDH1A1KDM4EGAACREBBP | |
| SCHEMBL14479767 | 0.78 | BRD4 (0.43) | BRD4HRH3 | |
| SCHEMBL19931048 | 0.73 | BRD4 (0.49) | BRD4ALDH1A1KDM4EGAAGLA | |
| SCHEMBL6915482 | 0.73 | PTPN1 (0.38) | BRD4ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL2464605 | 0.71 | BRD4 (0.62) | BRD4ALDH1A1KDM4EGAAGLA | |
| SCHEMBL6901759 | 0.71 | COMT (0.60) | HRH3PTPN11COMT | |
| SCHEMBL6900917 | 0.71 | COMT (0.55) | ALDH1A1HRH3PTPN11COMT | |
| SCHEMBL12121775 | 0.71 | PTPN11 (0.60) | KDM4EPTPN11MEN1KMT2A | |
| SCHEMBL6901895 | 0.70 | COMT (0.46) | ALDH1A1PTPN11COMTBCHEACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9309199-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2016-04-12 | — | — | US | disclosed |
| US-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME LLC | 2013-01-03 | — | — | US | disclosed |
| WO-2011109261-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 (1 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-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | BRD4 1855/4885ALDH1A1 186/4885KDM4E 671/4885 |
“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.