Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.36 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 3/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30743052 | 1.00 | MAP2K1 (0.46) | MAP2K1GRM2GRM4IMPDH2IMPDH1 | |
| SCHEMBL221979 | 0.81 | MAP2K1 (0.32) | MAP2K1 | |
| SCHEMBL6008525 | 0.81 | MAP2K1 (0.32) | MAP2K1 | |
| SCHEMBL29229942 | 0.76 | KCNMA1 (0.33) | MAP2K1GRM4SMN1; SMN2HIF1A | |
| SCHEMBL6051995 | 0.74 | UPP1 (0.34) | MAP2K1GRM4 | |
| SCHEMBL247972 | 0.74 | — | — | |
| SCHEMBL285178 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL9171523 | 0.73 | UPP1 (0.33) | GRM4 | |
| SCHEMBL30556736 | 0.73 | METAP2 (0.38) | MAP2K1TSHRHIF1A | |
| SCHEMBL31619990 | 0.73 | METAP2 (0.38) | MAP2K1TSHRHIF1A |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3017307-B1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIV STRASBOURG (FR) | 2018-11-21 | — | — | EP | disclosed |
| US-10131626-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2018-11-20 | — | — | US | disclosed |
| CN-108069876-A | For the 3- aryl propine nitrile compounds of mercaptan mark | 斯特拉斯堡大学 | 2018-05-25 | — | — | CN | disclosed |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-07-27 | — | — | US | disclosed |
| US-9663454-B2 | 3-aryl propiolonitrile compounds for thiol labeling | UNIVERSITE DE STRASBOURG (FR) | 2017-05-30 | — | — | US | disclosed |
| US-20160145199-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2016-05-26 | — | — | US | disclosed |
| EP-3017307-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | Université de Strasbourg (FR) | 2016-05-11 | — | — | EP | disclosed |
| WO-2015001117-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | UNIVERSITE DE STRASBOURG (FR) | 2015-01-08 | — | — | WO | disclosed |
| EP-2821791-A1 | 3-aryl propiolonitrile compounds for thiol labeling | Université de Strasbourg (FR) | 2015-01-07 | — | — | EP | disclosed |
| US-20090048252-A1 | THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION | 2009-02-19 | — | — | US | disclosed |
| EP-1993536-A2 | THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS | SmithKline Beecham Corporation (US) | 2008-11-26 | — | — | EP | disclosed |
| US-20070249599-A1 | Novel Chemical Compounds | DUFFY KEVIN J | 2007-10-25 | — | — | US | disclosed |
| WO-2007103755-A2 | THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-09-13 | — | — | WO | disclosed |
| EP-1718642-A1 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005082901-A1 | NOVEL CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-09 | — | — | 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 (5 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-10131626-B2 | 3-aryl propiolonitrile compounds for thiol labeling | PTMS, TST, PNN | MAP2K1 1679/4885GRM2 3964/4885GRM4 3832/4885 |
| US-20070249599-A1 | Novel Chemical Compounds | HIPK3, HIPK1, HIPK4 | MAP2K1 3156/4885GRM2 4457/4885GRM4 4645/4885 |
| US-20090048252-A1 | THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS | PIK3CA, BTK, PI4KA | MAP2K1 1364/4885GRM2 3870/4885GRM4 3203/4885 |
| US-20170210700-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | PTMS, TST, PNN | MAP2K1 1679/4885GRM2 3964/4885GRM4 3832/4885 |
| US-20160145199-A1 | 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING | PTMS, TST, PNN | MAP2K1 1679/4885GRM2 3964/4885GRM4 3832/4885 |
“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.