Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.33 |
| ▸ | PPARG | P37231 | 6/20 | 0.33 |
| ▸ | PPARD | Q03181 | 6/20 | 0.33 |
| ▸ | PPARA | Q07869 | 6/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1194804 | 1.00 | SPHK2 (0.37) | SPHK2SPHK1CES2CES1MEN1 | |
| SCHEMBL11407477 | 0.98 | SPHK2 (0.40) | SPHK2SPHK1CES2CES1MEN1 | |
| SCHEMBL11409071 | 0.93 | — | — | |
| SCHEMBL11410457 | 0.93 | — | — | |
| SCHEMBL11423514 | 0.84 | — | — | |
| SCHEMBL7555039 | 0.84 | — | — | |
| SCHEMBL7555041 | 0.84 | — | — | |
| SCHEMBL28424444 | 0.80 | CES2 (0.41) | SPHK2SPHK1CES2CES1MEN1 | |
| SCHEMBL11496341 | 0.80 | CES2 (0.37) | SPHK2SPHK1CES2CES1MEN1 | |
| SCHEMBL11496340 | 0.80 | CES2 (0.37) | SPHK2SPHK1CES2CES1MEN1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478508-B | A kind of synthetic method of the 6-carbonitrile derivatives of pyrazoles containing halogen | 江苏中旗科技股份有限公司 | 2019-08-16 | — | — | CN | claimed |
| CN-102718712-A | Preparation method of 3-difluoro-methyl pyrazole-4-carboxylic acid and 3-trifluoro-methyl pyrazole-4-carboxylic acid | SHANGHAI CHEMSPEC INTERNAT LTD | 2012-10-10 | — | — | CN | claimed |
| US-20100010216-A1 | 2-FLUORINATED ACYL-3-AMINOACRYLONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC (JP) | 2010-01-14 | — | — | US | claimed |
| CN-101627008-A | 2-fluorinated acyl-3-aminoacrylonitrile derivative and method for producing the same | MITSUI CHEMICALS INC | 2010-01-13 | — | — | CN | claimed |
| EP-2105434-A1 | 2-FLUORINATED ACYL-3-AMINOACRYLONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-09-30 | — | — | EP | claimed |
| CN-106478508-B | A kind of synthetic method of the 6-carbonitrile derivatives of pyrazoles containing halogen | 江苏中旗科技股份有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-106478508-A | A kind of synthetic method of halogen-containing pyrazoles 6-carbonitrile derivatives | 江苏中旗作物保护股份有限公司 | 2017-03-08 | — | — | CN | disclosed |
| EP-2128139-B1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO INC (JP) | 2013-08-07 | — | — | EP | disclosed |
| CN-102718712-A | Preparation method of 3-difluoro-methyl pyrazole-4-carboxylic acid and 3-trifluoro-methyl pyrazole-4-carboxylic acid | SHANGHAI CHEMSPEC INTERNAT LTD | 2012-10-10 | — | — | CN | disclosed |
| CN-101627015-B | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarb and preparation method thereof | MITSUI CHEMICALS INC | 2012-02-29 | — | — | CN | disclosed |
| US-7884216-B2 | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarbonitrile derivative and method for producing the same | MITSUI CHEMICALS AGRO, INC. (JP) | 2011-02-08 | — | — | US | disclosed |
| US-20100016612-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC (JP) | 2010-01-21 | — | — | US | disclosed |
| US-20100010216-A1 | 2-FLUORINATED ACYL-3-AMINOACRYLONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC (JP) | 2010-01-14 | — | — | US | disclosed |
| CN-101627015-A | Fluorine-containing pyrazolecarbonitrile derivative and method for producing the same, and fluorine-containing pyrazolecarboxylic acid derivative obtained by using the fluorine-containing pyrazolecarb | MITSUI CHEMICALS INC | 2010-01-13 | — | — | CN | disclosed |
| CN-101627008-A | 2-fluorinated acyl-3-aminoacrylonitrile derivative and method for producing the same | MITSUI CHEMICALS INC | 2010-01-13 | — | — | CN | disclosed |
| EP-2128139-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-12-02 | — | — | EP | disclosed |
| EP-2105434-A1 | 2-FLUORINATED ACYL-3-AMINOACRYLONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO, INC. (JP) | 2009-09-30 | — | — | 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 (2 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-20100016612-A1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | AFF1, AFF2, PFAS | SPHK2 1044/4885SPHK1 619/4885CES2 1143/4885 |
| US-20100010216-A1 | 2-FLUORINATED ACYL-3-AMINOACRYLONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | AFF2, AFF1, AFF4 | SPHK2 3355/4885SPHK1 4325/4885CES2 284/4885 |
“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.