Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5094631 | 0.80 | ACHE (0.56) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL2545682 | 0.80 | ACHE (0.56) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL7911729 | 0.78 | CYP1A1 (0.58) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL8428069 | 0.76 | ACHE (0.52) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL18593938 | 0.76 | ACHE (0.52) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL5798648 | 0.76 | ACHE (0.52) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL7859198 | 0.74 | CA2 (0.48) | ACHEMAPTCYP3A4CA9CYP1A2 | |
| SCHEMBL8351063 | 0.73 | PTGS2 (0.54) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL12817385 | 0.72 | ACHE (0.59) | ACHEMAPTCYP3A4CA9PTGS2 | |
| SCHEMBL9111455 | 0.71 | PTGS2 (0.47) | ACHEMAPTCYP3A4CA9PTGS2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104803898-B | Aryl-alkyl and aryl-aryl thioether compound and synthesis method thereof | 华东师范大学 | 2017-05-24 | — | — | CN | disclosed |
| CN-104045589-B | A kind of arylalkyl thioethers compound and synthetic method thereof | 华东师范大学 | 2016-08-24 | — | — | CN | disclosed |
| CN-103787802-B | One class arylalkyl thioethers compound and synthetic method thereof | EAST CHINA NORMAL UNIVERSITY (CN) | 2015-08-19 | — | — | CN | disclosed |
| CN-104803898-A | Aryl-alkyl and aryl-aryl thioether compound and synthesis method thereof | UNIV EAST CHINA NORMAL | 2015-07-29 | — | — | CN | disclosed |
| CN-104045589-A | Aryl alkyl thioether compound and synthetic method thereof | UNIV EAST CHINA NORMAL | 2014-09-17 | — | — | CN | disclosed |
| CN-103787802-A | Aryl alkyl thioether compounds and synthesis method thereof | UNIV EAST CHINA NORMAL | 2014-05-14 | — | — | CN | disclosed |
| US-7410998-B2 | Inhibitors of NADH:ubiquinone oxidoreductase | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-08-12 | — | — | US | disclosed |
| US-20040034239-A1 | Inhibitors of nadh:ubiquinone oxidoreductase | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-02-19 | — | — | US | disclosed |
| WO-2002020008-A1 | INHIBITORS OF NADH:UBIQUINONE OXIDOREDUCTASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-03-14 | — | — | 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-20040034239-A1 | Inhibitors of nadh:ubiquinone oxidoreductase | NQO1, NDUFV1, NDUFV2 | ACHE 2081/4885MAPT 3658/4885CYP3A4 548/4885 |
“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.