Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 17/20 | 0.50 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.43 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2543446 | 0.84 | BRD4 (0.46) | BRD4KDM4EALDH1A1GLAGAA | |
| SCHEMBL2463443 | 0.78 | BRD4 (0.44) | BRD4 | |
| SCHEMBL14479767 | 0.77 | BRD4 (0.43) | BRD4 | |
| SCHEMBL2464605 | 0.69 | BRD4 (0.62) | BRD4KDM4EALDH1A1GLAGAA | |
| SCHEMBL1127104 | 0.69 | BRD4 (0.47) | BRD4BRD9BRD7KDM4EALDH1A1 | |
| SCHEMBL11441378 | 0.68 | BRD4 (0.43) | BRD4KDM4EALDH1A1GLAGAA | |
| SCHEMBL14478723 | 0.68 | ADORA1 (0.39) | COMT | |
| SCHEMBL17029239 | 0.68 | BRD9 (0.77) | BRD4BRD9BRD7 | |
| SCHEMBL24556388 | 0.67 | BRD4 (1.00) | BRD4BRD9KDM4EALDH1A1GLA | |
| SCHEMBL19930630 | 0.67 | BRD4 (0.80) | BRD4BRD9BRD7 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
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 1855/4885BRD9 4171/4885BRD7 3823/4885 |
“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.