Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Guaiacol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.78 |
| ▸ | CA2 | P00918 | 3/20 | 0.78 |
| ▸ | TP53 | P04637 | 2/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Guaiacol SCHEMBL27638704 | 0.98 | CA1 (0.75) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL2599702 | 0.94 | CA1 (0.75) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL27732358 | 0.89 | CA1 (0.75) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL21626 | 0.89 | — | — | |
| Guaiacol SCHEMBL671733 | 0.89 | CA2 (1.00) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL29454477 | 0.89 | — | — | |
| Guaiacol SCHEMBL18060602 | 0.88 | CA1 (0.72) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL18060603 | 0.88 | CA1 (0.72) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL7134809 | 0.86 | CA1 (0.86) | CA1CA2TP53TSHRMAPT | |
| Guaiacol SCHEMBL25403512 | 0.86 | CA2 (0.95) | CA1CA2TP53TSHRMAPT |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12050228-B2 | Automated sample quality assessment | METABOLON, INC. (US) | 2024-07-30 | — | — | US | claimed |
| CN-109563127-B | Compounds, agents and uses thereof | 麦特博隆股份有限公司 | 2024-01-05 | — | — | CN | claimed |
| CN-112834494-A | Method for determining cyanide and total cyanide in soil | 中国石油化工股份有限公司 | 2021-05-25 | — | — | CN | claimed |
| EP-3805756-A1 | SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT | Metabolon, Inc. (US) | 2021-04-14 | — | — | EP | claimed |
| US-20210088539-A1 | AUTOMATED SAMPLE QUALITY ASSESSMENT | METABOLON, INC. | 2021-03-25 | — | — | US | claimed |
| US-10890592-B2 | Automated sample quality assessment | METABOLON, INC. (US) | 2021-01-12 | — | — | US | claimed |
| US-10865183-B2 | Compounds, reagents, and uses thereof | METABOLON, INC. (US) | 2020-12-15 | — | — | US | claimed |
| CN-106537145-B | Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment | 麦特博隆股份有限公司 | 2020-08-25 | — | — | CN | claimed |
| EP-3688470-A1 | COMPOUNDS, REAGENTS, AND USES THEREOF | Metabolon, Inc. (US) | 2020-08-05 | — | — | EP | claimed |
| US-20200231541-A1 | COMPOUNDS, REAGENTS, AND USES THEREOF | METABOLON, INC. | 2020-07-23 | — | — | US | claimed |
| EP-3410115-A1 | TRYPTOPHAN AS A BIOMARKERS FOR KIDNEY FUNCTION AND METHODS USING THE SAME | Metabolon, Inc. (US) | 2018-12-05 | — | — | EP | claimed |
| EP-2997366-B1 | BIOMARKERS RELATED TO KIDNEY FUNCTION AND METHODS USING THE SAME | METABOLON INC (US) | 2018-10-10 | — | — | EP | claimed |
| WO-2018022866-A1 | DIAGNOSTIC METHODS, THERAPEUTIC AGENTS AND USES THEREOF | METABOLON, INC. (US) | 2018-02-01 | — | — | WO | claimed |
| US-20170276669-A1 | PRECISE ESTIMATION OF GLOMERULAR FILTRATION RATE FROM MULTIPLE BIOMARKERS | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2017-09-28 | — | — | US | claimed |
| EP-3129909-A1 | SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT | Metabolon, Inc. (US) | 2017-02-15 | — | — | EP | claimed |
| US-20160116486-A1 | BIOMARKERS RELATED TO KIDNEY FUNCTION AND METHODS USING THE SAME | METABOLON, INC. | 2016-04-28 | — | — | US | claimed |
| EP-2997366-A1 | BIOMARKERS RELATED TO KIDNEY FUNCTION AND METHODS USING THE SAME | Metabolon, Inc. (US) | 2016-03-23 | — | — | EP | claimed |
| WO-2016025429-A1 | PRECISE ESTIMATION OF GLOMERULAR FILTRATION RATE FROM MULTIPLE BIOMARKERS | THE JOHNS HOPKINS UNIVERSITY (US) | 2016-02-18 | — | — | WO | claimed |
| WO-2015157407-A1 | SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT | METABOLON, INC. (US) | 2015-10-15 | — | — | WO | claimed |
| WO-2014186311-A1 | BIOMARKERS RELATED TO KIDNEY FUNCTION AND METHODS USING THE SAME | METABOLON, INC. (US) | 2014-11-20 | — | — | WO | claimed |
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-10865183-B2 | Compounds, reagents, and uses thereof | REN, ATP6V1B1, PKD1 | MAOB 653/4885CA1 348/4885CA2 239/4885 |
| US-20200231541-A1 | COMPOUNDS, REAGENTS, AND USES THEREOF | REN, ATP6V1B1, PKD1 | MAOB 521/4885CA1 523/4885CA2 254/4885 |
“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.