Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6689869 | 1.00 | TSHR (0.60) | TSHRCYP2A6ESR1ESR2CYP1A2 | |
| SCHEMBL27646186 | 1.00 | TSHR (0.60) | TSHRCYP2A6ESR1ESR2CYP1A2 | |
| SCHEMBL4319988 | 0.78 | ESR1 (0.62) | TSHRESR1ESR2CYP1A2KDM4E | |
| SCHEMBL7262475 | 0.78 | ESR1 (0.62) | TSHRESR1ESR2CYP1A2KDM4E | |
| SCHEMBL467691 | 0.78 | ESR1 (0.62) | TSHRESR1ESR2CYP1A2KDM4E | |
| SCHEMBL199580 | 0.76 | TSHR (0.60) | TSHRESR1ESR2ALOX5KDM4E | |
| SCHEMBL6908022 | 0.76 | TSHR (0.60) | TSHRESR1ESR2ALOX5KDM4E | |
| SCHEMBL7865922 | 0.76 | TSHR (0.60) | TSHRCYP2A6ESR1ESR2ALOX5 | |
| SCHEMBL8020863 | 0.76 | TSHR (0.60) | TSHRESR1ESR2CYP1A2ALOX15 | |
| SCHEMBL8019231 | 0.76 | TSHR (0.60) | TSHRESR1ESR2ALOX5KDM4E |
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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103396341-A | Synthesis method of chiral hydroxy nitrile | LUO MEI | 2013-11-20 | — | — | CN | claimed |
| US-7985572-B2 | Modified nitrilases and their use in methods for the production of carboxylic acids | BASF SE (DE) | 2011-07-26 | — | — | US | claimed |
| EP-1599584-B1 | MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS | BASF SE (DE) | 2009-07-01 | — | — | EP | claimed |
| US-20060259999-A1 | Modified nitrilases and their use in methods for the production of carboxylic acids | BASF AKTIENGESELLSCHAFT (DE) | 2006-11-16 | — | — | US | claimed |
| EP-2403842-B1 | CHIRAL DISULFONIMIDES | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2016-06-29 | — | — | EP | disclosed |
| US-9315792-B2 | Nitrilases, nucleic acids encoding them and methods for making and using them | BASF ENZYMES LLC (US) | 2016-04-19 | — | — | US | disclosed |
| US-9217164-B2 | Nitrilases, nucleic acids encoding them and methods for making and using them | BASF ENZYMES LLC (US) | 2015-12-22 | — | — | US | disclosed |
| EP-2327766-B1 | Nitrilases | BASF ENZYMES LLC (US) | 2015-12-02 | — | — | EP | disclosed |
| EP-2319919-B1 | Nitrilases | BASF ENZYMES LLC (US) | 2015-08-12 | — | — | EP | disclosed |
| US-9079869-B2 | Chiral disulfonimides | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2015-07-14 | — | — | US | disclosed |
| US-9079869-B2 | Chiral disulfonimides | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2015-07-14 | — | — | US | disclosed |
| EP-1576108-B1 | NITRILASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM | BASF ENZYMES LLC (US) | 2015-07-08 | — | — | EP | disclosed |
| CN-1305482-A | Artemisinin derivatives, method for preparation thereof and pharmaceutical compositions containing the same | SHANGHAI INST OF MATERIAL MEDI (CN) | 2001-07-25 | — | — | CN | disclosed |
| EP-1086107-A1 | ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2001-03-28 | — | — | EP | disclosed |
| EP-0711836-B1 | Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide | MITSUBISHI RAYON CO (JP) | 2000-02-02 | — | — | EP | disclosed |
| WO-1999065914-A1 | ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) | 1999-12-23 | — | — | WO | disclosed |
| CN-1239097-A | Artemisine compounds, their preparing process and medicine composition containing them | SHANGHAI INST OF MEDICINAL MAT (CN) | 1999-12-22 | — | — | CN | disclosed |
| US-5736385-A | NITRILASE OR NITRILE HYDRATASE HYDROLYSIS OF A CYANOHYDRIN WHILE AUTOMATICALLY CONTROLLING CYANOHYDRIN CONCENTRATION | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-04-07 | — | — | US | disclosed |
| EP-0711836-A1 | Method of producing optically active alpha-hydroxy acid or alpha-hydroxyamide | NITTO CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-05-15 | — | — | EP | disclosed |
| US-3976638-A | STEROID, ANTIINFLAMMATORY | E. R. SQUIBB & SONS, INC. (US) | 1976-08-24 | — | — | US | disclosed |