Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP4A | P20648 | 1/20 | 0.38 |
| ▸ | ATP4B | P51164 | 1/20 | 0.38 |
| ▸ | TOP1 | P11387 | 2/20 | 0.37 |
| ▸ | TOP2A | P11388 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | GUSB | P08236 | 1/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14828462 | 0.91 | DRD2 (0.44) | ATP4AATP4BALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL17196169 | 0.85 | CHEK2 (0.43) | GUSBCHEK2 | |
| SCHEMBL2466309 | 0.79 | NPC1 (0.45) | ALDH1A1HPGDSMN1; SMN2HSD17B10GUSB | |
| SCHEMBL2468255 | 0.77 | NPC1 (0.47) | ALDH1A1HPGDSMN1; SMN2HSD17B10GUSB | |
| SCHEMBL2466928 | 0.75 | COMT (0.43) | ALDH1A1SMN1; SMN2HPSECHEK2 | |
| SCHEMBL14816426 | 0.73 | COMT (0.57) | ALDH1A1HPGDSMN1; SMN2SCDGUSB | |
| SCHEMBL465476 | 0.68 | PLG (0.56) | ATP4AATP4BCHEK2HDAC3HDAC4 | |
| SCHEMBL6900917 | 0.68 | COMT (0.55) | ALDH1A1 | |
| SCHEMBL21017182 | 0.66 | PLG (0.51) | CHEK2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL21018408 | 0.66 | CHEK2 (0.61) | ATP4AATP4BCHEK2HDAC3HDAC4 |
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-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 |
| 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 (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 | ATP4A 1801/4885ATP4B 2488/4885TOP1 2776/4885 |
“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.