Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | COMT | P21964 | 3/20 | 0.43 |
| ▸ | HAO2 | Q9NYQ3 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.41 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | HNF4A | P41235 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2464166 | 0.81 | HDAC8 (0.45) | HDAC4HDAC2HDAC8COMTHAO2 | |
| SCHEMBL10462527 | 0.70 | CSNK2A1 (0.47) | HTT | |
| SCHEMBL2080344 | 0.68 | ALOX5 (0.60) | HDAC4HDAC2HDAC8KMOACMSD | |
| SCHEMBL18311419 | 0.67 | HDAC4 (0.49) | HDAC4HDAC2HDAC8COMTKMO | |
| SCHEMBL18311411 | 0.66 | ALOX5 (0.63) | HDAC4HDAC2HDAC8COMTKMO | |
| SCHEMBL5413929 | 0.66 | KMO (0.51) | KMOL3MBTL1NOTUM | |
| SCHEMBL9206377 | 0.65 | SERPINE1 (0.46) | HDAC4HDAC2HDAC8HTT | |
| SCHEMBL27680085 | 0.64 | KDM4E (0.46) | NOTUMHTTHNF4AMCL1 | |
| Bicarbonate SCHEMBL9702180 | 0.63 | KMO (0.70) | HDAC4HDAC2HDAC8KMOACMSD | |
| SCHEMBL21471507 | 0.63 | HDAC4 (0.69) | HDAC4HDAC2HDAC8COMTKMO |
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-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 |
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-20150299227-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | HDAC4 1897/4885HDAC2 1553/4885HDAC8 2887/4885 |
“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.