Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.34 |
| ▸ | CCR6 | P51684 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | JAK1 | P23458 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL9288864 | 0.87 | TSHR (0.30) | MITFHSP90AA1 | |
| SCHEMBL11438789 | 0.79 | DRD2 (0.34) | DAO | |
| SCHEMBL11438792 | 0.77 | SIGMAR1 (0.39) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL1806808 | 0.76 | — | — | |
| SCHEMBL659645 | 0.76 | ALOX5 (0.36) | DAOJAK2JAK1TYK2JAK3 | |
| SCHEMBL11185853 | 0.74 | THRB (0.35) | DAOCCR6METAP1 | |
| SCHEMBL9998893 | 0.74 | SIGMAR1 (0.50) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Hydrochloric Acid SCHEMBL3615475 | 0.73 | — | — | |
| SCHEMBL9998104 | 0.73 | CCRL2 (0.31) | — | |
| SCHEMBL9598895 | 0.73 | CCR6 (0.30) | CCR6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200262812-A1 | 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES | YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) | 2020-08-20 | — | — | US | disclosed |
| US-20190071416-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2019-03-07 | — | — | US | disclosed |
| EP-3441388-A1 | 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2019-02-13 | — | — | EP | disclosed |
| EP-3371151-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | Agency For Science, Technology And Research (SG) | 2018-09-12 | — | — | EP | disclosed |
| WO-2017061957-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2017-04-13 | — | — | WO | disclosed |
| EP-1963289-B1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AND THEIR USE AS OPIOID RECEPTOR LIGANDS | GRUENENTHAL GMBH (DE) | 2013-05-15 | — | — | EP | disclosed |
| US-7728028-B2 | Substituted imidazoline compounds | GRUENENTHAL GMBH (DE) | 2010-06-01 | — | — | US | disclosed |
| EP-1963278-B1 | SUBSTITUTED IMIDAZOLINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-11-18 | — | — | EP | disclosed |
| US-7589113-B2 | Substituted oxadiazole compounds and their use as opioid receptor ligands | GRUENENTHAL GMBH (DE) | 2009-09-15 | — | — | US | disclosed |
| US-20090048323-A1 | SUBSTITUTED IMIDAZOLINE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-02-19 | — | — | US | disclosed |
| US-20090005427-A1 | SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS | GRUENENTHAL GMBH (DE) | 2009-01-01 | — | — | US | disclosed |
| EP-1963278-A1 | SUBSTITUTED IMIDAZOLINE DERIVATIVES | Grünenthal GmbH (DE) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007079927-A1 | SUBSTITUTED IMIDAZOLINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-07-19 | — | — | WO | disclosed |
| US-4226867-A | HYPOTENSIVE AGENTS | MERCK & CO., INC. (US) | 1980-10-07 | — | — | US | disclosed |
| EP-0010234-A1 | 3,3-Substituted spiro-1,2,4-benzothiadiazines and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1980-04-30 | — | — | 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 (4 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-20190071416-A1 | COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS | SMYD3, SMYD2, EHMT1 | DAO 2471/4885CCR6 2510/4885CHRM2 1448/4885 |
| US-20090005427-A1 | SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR LIGANDS | OPRM1, OPRD1, OPRK1 | DAO 948/4885CCR6 362/4885CHRM2 215/4885 |
| US-20090048323-A1 | SUBSTITUTED IMIDAZOLINE COMPOUNDS | ITCH, OPRK1, ALDH1A1 | DAO 190/4885CCR6 1755/4885CHRM2 1657/4885 |
| US-20200262812-A1 | 4, 5, 6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN MEDICINES | CYP3A4, CYP4B1, CYP3A7 | DAO 2152/4885CCR6 2826/4885CHRM2 4338/4885 |
“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.