Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 4/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6916456 | 0.89 | ALOX5AP (0.51) | MAPTCASP1ALOX5APFEN1FYN | |
| SCHEMBL14478703 | 0.75 | SQOR (0.49) | MAPTCASP1ALOX5APFEN1ALDH1A1 | |
| SCHEMBL2432812 | 0.75 | MAPT (0.61) | MAPTCASP1FYNCYP11B1CYP11B2 | |
| SCHEMBL10227392 | 0.74 | ALOX5AP (0.43) | ALOX5APFEN1CYP11B1CYP11B2PDE4B | |
| SCHEMBL14478723 | 0.74 | ADORA1 (0.39) | ADORA1ADORA2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL1639529 | 0.71 | ABCB1 (0.39) | ALOX5APFEN1PDE4B | |
| SCHEMBL10227399 | 0.70 | ABCB1 (0.38) | ALOX5APFEN1PDE4B | |
| SCHEMBL14479730 | 0.69 | MAPT (0.67) | MAPTCASP1FYNALDH1A1SMN1; SMN2 | |
| SCHEMBL28097912 | 0.68 | MAPT (0.41) | MAPTCASP1ALOX5APFEN1ALDH1A1 | |
| SCHEMBL19750886 | 0.67 | CYP1A1 (0.47) | MAPTFYNALDH1A1SMN1; SMN2HPGD |
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 7 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-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 |
| CN-102933079-A | catechol-O-methyltransferase inhibitors and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME | 2013-02-13 | — | — | CN | disclosed |
| EP-2542077-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | Merck Sharp & Dohme Corp. (US) | 2013-01-09 | — | — | EP | 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 |
| 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 | MAPT 220/4885CASP1 4086/4885ALOX5AP 1521/4885 |
“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.