Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.48 |
| ▸ | MMP8 known ✓ | P22894 | 1/20 | 0.46 |
| ▸ | DUSP5 | Q16690 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28391333 | 0.98 | PTGS1 (0.47) | PTGS1DUSP5NR4A1CDK2ALDH1A1 | |
| SCHEMBL452424 | 0.96 | DUSP5 (0.50) | PTGS1DUSP5NR4A1CDK2ALDH1A1 | |
| Potassium Ion SCHEMBL5191230 | 0.96 | NR4A1 (0.50) | PTGS1DUSP5NR4A1CDK2ALDH1A1 | |
| SCHEMBL11199053 | 0.96 | DUSP5 (0.50) | PTGS1DUSP5NR4A1CDK2ALDH1A1 | |
| SCHEMBL9509844 | 0.96 | NR4A1 (0.50) | PTGS1DUSP5NR4A1CDK2ALDH1A1 | |
| Lithium Ion SCHEMBL29083050 | 0.96 | DUSP5 (0.46) | PTGS1DUSP5NR4A1CDK2ALDH1A1 | |
| SCHEMBL8144698 | 0.87 | DUSP5 (0.44) | PTGS1DUSP5NR4A1CDK2ALDH1A1 | |
| SCHEMBL7784950 | 0.84 | DUSP5 (0.50) | PTGS1DUSP5NR4A1CDK2TDP1 | |
| Phenolsulphonic Acid SCHEMBL359838 | 0.82 | PTGS1 (0.57) | PTGS1DUSP5NR4A1CDK2ALDH1A1 | |
| Phenolsulphonic Acid SCHEMBL3700204 | 0.82 | PTGS1 (0.52) | PTGS1DUSP5NR4A1CDK2ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102985091-A | Compositions and methods for treatment of skin diseases and disorders using antimicrobial peptide sequestering compounds | NEOCUTIS SA | 2013-03-20 | — | — | CN | claimed |
| CN-102985091-B | Use antimicrobial peptide chelate compound treatment dermatosis and abnormal compositions and method | 新科蒂斯公司 | 2016-11-23 | — | — | CN | disclosed |
| CN-105120834-A | Antioxidant compositions and methods of use thereof | NEOCUTIS SA | 2015-12-02 | — | — | CN | disclosed |
| CN-102219715-B | Method for preparing medicinal high-purity calcium dobesilate | BEIJING ZHENDONG GUANGMING PHARMACEUTICAL RES INST CO LTD | 2013-11-13 | — | — | CN | disclosed |
| CN-102985091-A | Compositions and methods for treatment of skin diseases and disorders using antimicrobial peptide sequestering compounds | NEOCUTIS SA | 2013-03-20 | — | — | CN | disclosed |
| CN-102219715-A | Method for preparing medicinal high-purity calcium dobesilate | BEIJING ZHENDONG GUANGMING PHARMACEUTICAL RES INST CO LTD | 2011-10-19 | — | — | CN | disclosed |
| CN-1759043-A | Safety containers for biologically active substances and method for producing said container | BAXTER HEALTHCARE SA (CH) | 2006-04-12 | — | — | CN | disclosed |
| EP-0419604-A1 | TWO-COMPONENT PREPARATION CONTAINING COUMARIN OR DOBESILATE CALCIUM FOR THE TREATMENT OF OSTEOARTHROSIS | Stuker, Gerhard, Dr.med.vet. (CH) | 1991-04-03 | — | — | EP | disclosed |
| WO-1990011759-A1 | TWO-COMPONENT PREPARATION CONTAINING COUMARIN OR DOBESILATE CALCIUM FOR THE TREATMENT OF OSTEOARTHROSIS | STUKER, GERHARD (CH) | 1990-10-18 | — | — | WO | disclosed |