Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | HTR3B | O95264 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.37 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26667009 | 0.94 | TSHR (0.48) | TSHRMAPK1CES2MGLLCA1 | |
| Hydrochloric Acid SCHEMBL3983297 | 0.92 | TSHR (0.47) | TSHRMAPK1CES2MGLLCA1 | |
| SCHEMBL9343117 | 0.81 | — | — | |
| SCHEMBL15403881 | 0.79 | CES2 (0.37) | CES2IDO1 | |
| SCHEMBL2381607 | 0.79 | TSHR (0.58) | TSHRMAPK1CES2MGLLCA1 | |
| SCHEMBL4897288 | 0.79 | TSHR (0.58) | TSHRMAPK1CES2MGLLCA1 | |
| SCHEMBL1493015 | 0.77 | TSHR (0.56) | TSHRMAPK1CES2MGLLCA1 | |
| SCHEMBL11815242 | 0.75 | KIF11 (0.43) | TSHRCES2MGLLALDH1A1TAAR1 | |
| SCHEMBL29957599 | 0.74 | TSHR (0.48) | TSHRMAPK1CES2MGLLCA1 | |
| SCHEMBL1977804 | 0.74 | ACHE (0.38) | MAPK1CES2MGLLTAAR1NOTUM |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111087305-B | Beta-fluoroalkyl cinnamate compound and preparation method thereof | 南京工业大学 | 2021-08-27 | — | — | CN | claimed |
| CN-111087305-A | β -fluoroalkyl cinnamate compound and preparation method thereof | 南京工业大学 | 2020-05-01 | — | — | CN | claimed |
| CN-115611816-A | Method for efficiently preparing 5-aryl (hetero) ring modified uracil derivative | 中国科学院化学研究所 | 2023-01-17 | — | — | CN | disclosed |
| CN-111087305-B | Beta-fluoroalkyl cinnamate compound and preparation method thereof | 南京工业大学 | 2021-08-27 | — | — | CN | disclosed |
| CN-111087305-A | β -fluoroalkyl cinnamate compound and preparation method thereof | 南京工业大学 | 2020-05-01 | — | — | CN | disclosed |
| CN-111057023-A | 1-aryl-tetrazole-5-nitrile and 2-aryl-tetrazole-5-nitrile and preparation method thereof | 天津大学 | 2020-04-24 | — | — | CN | disclosed |
| US-20150191493-A1 | NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS | Universite de Bordeaux (FR) | 2015-07-09 | — | — | US | disclosed |
| EP-2684887-B1 | New process for preparing arylboranes by arylation of organoboron compounds | UNIV BORDEAUX (FR) | 2015-06-17 | — | — | EP | disclosed |
| EP-2872519-A1 | NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS | UNIVERSITE DE BORDEAUX (FR) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014009169-A1 | NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS | UNIVERSITE DE BORDEAUX 1 (FR) | 2014-01-16 | — | — | WO | disclosed |
| EP-2684887-A1 | New process for preparing arylboranes by arylation of organoboron compounds | UNIVERSITE DE BORDEAUX I (FR) | 2014-01-15 | — | — | EP | disclosed |
| US-20090005437-A1 | Alpha-Ketoglutarates and Their Use as Therapeutic Agents | UNIVERSITY OF STRATHCLYDE (GB) | 2009-01-01 | — | — | US | disclosed |
| EP-1778616-A1 | ALPHA-KETOGLUTARATES AND THEIR USE AS THERAPEUTIC AGENTS | Cancer Research Technology Limited (GB) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006016143-A1 | ALPHA-KETOGLUTARATES AND THEIR USE AS THERAPEUTIC AGENTS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2006-02-16 | — | — | 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 (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-20090005437-A1 | Alpha-Ketoglutarates and Their Use as Therapeutic Agents | HIF1A, HIF1AN, EGLN3 | TSHR 3662/4885MAPK1 1678/4885CES2 1791/4885 |
| US-20150191493-A1 | NEW PROCESS FOR PREPARING ARYLBORANES BY ARYLATION OF ORGANOBORON COMPOUNDS | NISCH, BRD7, BRSK2 | TSHR 1405/4885MAPK1 361/4885CES2 1383/4885 |
“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.