Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3135339 | 0.84 | FOLH1 (0.41) | CES2CES1TSHRFOLH1LMNA | |
| SCHEMBL445508 | 0.82 | FOLH1 (0.59) | TSHRFOLH1HPGDGAAALDH1A1 | |
| SCHEMBL30565103 | 0.82 | FOLH1 (0.59) | TSHRFOLH1HPGDGAAALDH1A1 | |
| SCHEMBL3173852 | 0.82 | GABRA1 (0.44) | TSHRFOLH1LMNAHPGDGAA | |
| Hydrochloric Acid SCHEMBL3312470 | 0.80 | FOLH1 (0.57) | TSHRFOLH1HPGDGAAALDH1A1 | |
| SCHEMBL8227007 | 0.80 | ALDH1A1 (0.44) | TSHRFOLH1LMNAHPGDALDH1A1 | |
| SCHEMBL2588305 | 0.80 | KDM4E (0.50) | TSHRHPGDGAAL3MBTL1ALDH1A1 | |
| SCHEMBL1792164 | 0.80 | ALDH1A1 (0.48) | CES2CES1TSHRFOLH1LMNA | |
| SCHEMBL8096274 | 0.79 | GABRA1 (0.48) | TSHRLMNAHPGDALDH1A1KMT2A | |
| SCHEMBL491271 | 0.78 | ALDH1A1 (0.47) | TSHRFOLH1LMNAL3MBTL1ALDH1A1 |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107376875-A | A kind of preparation and application of the beta cyclodextrin porous material with quick adsorption ability | 湖南理工学院 | 2017-11-24 | — | — | CN | claimed |
| CN-103739786-B | Macromolecule quaternary salt anti-biotic material and preparation method thereof | 河南金誉包装科技股份有限公司 | 2016-08-17 | — | — | CN | claimed |
| CN-103739786-B | Macromolecule quaternary salt anti-biotic material and preparation method thereof | 河南金誉包装科技股份有限公司 | 2016-08-17 | — | — | CN | disclosed |
| WO-2011087758-A1 | ADAMANTYL AMIDE DERIVATIVES AND USES OF SAME | H. LUNDBECK A/S (DK) | 2011-07-21 | — | — | WO | disclosed |
| US-7803950-B2 | Method for the production of diarylcycloalkyl derivatives | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2010-09-28 | — | — | US | disclosed |
| US-20080051583-A1 | NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2008-02-28 | — | — | US | disclosed |
| US-20070197614-A1 | METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-08-23 | — | — | US | disclosed |
| US-7189864-B2 | Method of preparing intermediates useful in synthesis of retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2007-03-13 | — | — | US | disclosed |
| US-7094795-B2 | Process for preparing the enantiomeric forms of cis-configured 1,3-cyclohexanediol derivatives | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-08-22 | — | — | US | disclosed |
| US-6974876-B2 | Method for preparing intermediates useful in synthesis of retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2005-12-13 | — | — | US | disclosed |
| US-20050171366-A1 | Method of preparing intermediates useful in synthesis of retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2005-08-04 | — | — | US | disclosed |
| EP-0625978-A1 | PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993023388-A1 | METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 1993-11-25 | — | — | WO | disclosed |
| EP-0563345-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-10-06 | — | — | EP | disclosed |
| EP-0562049-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-09-29 | — | — | EP | disclosed |
| WO-1993016073-A1 | PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-08-19 | — | — | WO | disclosed |
| WO-1993004682-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-03-18 | — | — | WO | disclosed |
| WO-1993004684-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-03-18 | — | — | WO | disclosed |
| US-4289781-A | Anti-psychotic phthalimidine derivatives | ASTRA LAKEMEDEL AKTIEBOLAG (SE) | 1981-09-15 | — | — | US | disclosed |
| EP-0026749-A1 | Phthalimidine derivatives and pharmaceutical compositions containing them | Astra Läkemedel Aktiebolag (SE) | 1981-04-08 | — | — | EP | 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 (3 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-20050171366-A1 | Method of preparing intermediates useful in synthesis of retroviral protease inhibitors | PREP, DNPEP, ANPEP | CES2 67/4885CES1 94/4885TSHR 4807/4885 |
| US-20080051583-A1 | NOVEL INTERMEDIATE COMPOUNDS USEFUL IN THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES | PPARG, PPARD, PPARA | CES2 998/4885CES1 896/4885TSHR 935/4885 |
| US-20070197614-A1 | METHOD FOR THE PRODUCTION OF DIARYLCYCLOALKYL DERIVATIVES | PPARA, PPARD, PPARG | CES2 913/4885CES1 574/4885TSHR 602/4885 |
“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.