Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Hydroxyguanidine. 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 | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | CA5A | P35218 | 2/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AOC1 | P19801 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydroxyguanidine SCHEMBL3574406 | 1.00 | BLM (0.62) | BLMKDM4ECA5ACA5BPMP22 | |
| Hydroxyguanidine SCHEMBL961747 | 0.96 | BLM (0.67) | BLMKDM4ECA5ACA5BPMP22 | |
| Hydroxyguanidine SCHEMBL20520386 | 0.96 | BLM (0.67) | BLMKDM4ECA5ACA5BPMP22 | |
| Pimagedine SCHEMBL28939704 | 0.81 | BLM (0.92) | BLMKDM4ECA5ACA5BPMP22 | |
| Pimagedine SCHEMBL5968075 | 0.77 | BLM (1.00) | BLMKDM4ECA5ACA5BPMP22 | |
| Pimagedine SCHEMBL439904 | 0.77 | BLM (1.00) | BLMKDM4ECA5ACA5BPMP22 | |
| Sulfuric Acid SCHEMBL5404479 | 0.72 | CA5A (0.55) | BLMKDM4ECA5ACA5BPMP22 | |
| Sulfuric Acid SCHEMBL5581558 | 0.71 | BLM (0.62) | BLMKDM4ECA5ACA5BPMP22 | |
| Sulfuric Acid SCHEMBL8822396 | 0.71 | — | — | |
| Sulfuric Acid SCHEMBL8926275 | 0.71 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106349156-B | It can be used as the pyridine -2- amides of CB2 agonist | 霍夫曼-拉罗奇有限公司 | 2018-12-11 | — | — | CN | disclosed |
| EP-3072886-B1 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |
| CN-106349156-A | Pyridine-2-amides capable of being used as CB2 agonist | 霍夫曼-拉罗奇有限公司 | 2017-01-25 | — | — | CN | disclosed |
| EP-3072886-A1 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | F. Hoffmann-La Roche AG (CH) | 2016-09-28 | — | — | EP | disclosed |
| EP-2718266-B9 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE (CH) | 2016-09-28 | — | — | EP | disclosed |
| CN-103608332-B | Pyridine-2-amides useful as CB2 agonists | 霍夫曼-拉罗奇有限公司 | 2016-09-28 | — | — | CN | disclosed |
| EP-2718266-B1 | PYRIDIN-2-AMIDES USEFUL AS CB2 AGONISTS | HOFFMANN LA ROCHE (CH) | 2016-05-25 | — | — | EP | disclosed |
| US-20160137606-A1 | NOVEL PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (US) | 2016-05-19 | — | — | US | disclosed |
| US-9321727-B2 | Pyridine derivatives as agonists of the CB2 receptor | HOFFMANN-LA ROCHE INC. (US) | 2016-04-26 | — | — | US | disclosed |
| US-9290451-B2 | — | — | 2016-03-22 | — | — | US | disclosed |
| CN-103608332-A | Pyridine-2-amides useful as CB2 agonists | HOFFMANN LA ROCHE | 2014-02-26 | — | — | CN | disclosed |
| US-20120316147-A1 | NOVEL PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-12-13 | — | — | US | disclosed |
| US-5643929-A | TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES | SANOFI WINTHROP, INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5496833-A | BRONCHODILATOR, ANTIINFLAMMATORY, ANTIARTHRITIC, ANALGESIC, AND ANTIMIGRAINE AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-03-05 | — | — | US | disclosed |
| US-5464848-A | 1,2,4-oxadiazolyl-phenoxyalkylisoxazoles and their use as antiviral agents | STERLING WINTHROP INC. (US) | 1995-11-07 | — | — | US | disclosed |
| US-5444074-A | Treating diseases associated with excess of substance P | MERCK SHARP & DOHME LIMITED (GB) | 1995-08-22 | — | — | US | disclosed |
| EP-0636130-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LTD. (GB) | 1995-02-01 | — | — | EP | disclosed |
| WO-1993021181-A1 | AZACYCLIC COMPOUNDS | MERCK SHARP & DOHME LIMITED (GB) | 1993-10-28 | — | — | 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-20120316147-A1 | NOVEL PYRIDINE DERIVATIVES | NDUFS6, NDUFS4, NDUFV1 | BLM 3194/4885KDM4E 1028/4885CA5A 431/4885 |
| US-20160137606-A1 | NOVEL PYRIDINE DERIVATIVES | NDUFS6, NDUFS4, NDUFV1 | BLM 3194/4885KDM4E 1028/4885CA5A 431/4885 |
“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.