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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL11340337 | 1.00 | CA4 (0.42) | CA4CA1FAHD1APAF1POLB | |
| SCHEMBL285039 | 1.00 | CA4 (0.42) | CA4CA1FAHD1APAF1POLB | |
| Potassium Ion SCHEMBL29684679 | 0.97 | CA4 (0.44) | CA4CA1FAHD1 | |
| SCHEMBL31656550 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL11525049 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL5486609 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL4934869 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL4934880 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| Lithium Ion SCHEMBL31389434 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 | |
| SCHEMBL11527646 | 0.94 | CA4 (0.42) | CA4CA1FAHD1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2428208-B1 | Method of determining the potency of pharmaceutical substances to reduce the cellular glutathion content and to increase the cellular ROS content | EBERHARD KARLS UNIVERSITÄT TÜBINGEN UNIVERSITÄTSKLINIKUM (DE) | 2016-11-30 | — | — | EP | disclosed |
| EP-2104533-B1 | USE OF SUBSTANCES REDUCING CELLULAR GLUTATHIONE CONTENT FOR PRODUCING A MEDICAMENT FOR TREATING T-CELL MEDIATED AUTOIMMUNE DISEASES | EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) | 2016-05-25 | — | — | EP | disclosed |
| EP-2428208-A2 | Use of substances that reduce the cellular glutathion content for manufacturing a drug for the treatment of T-cell induced autoimmune diseases | Eberhard-Karls-Universität Tübingen Universitätsklinikum (DE) | 2012-03-14 | — | — | EP | disclosed |
| EP-2104533-A2 | USE OF SUBSTANCES REDUCING CELLULAR GLUTATHIONE CONTENT FOR PRODUCING A MEDICAMENT FOR TREATING T-CELL MEDIATED AUTOIMMUNE DISEASES | Eberhard-Karls-Universität Tübingen (DE) | 2009-09-30 | — | — | EP | disclosed |
| WO-2008064756-A2 | USE OF SUBSTANCES REDUCING CELLULAR GLUTATHIONE CONTENT FOR PRODUCING A MEDICAMENT FOR TREATING T-CELL MEDIATED AUTOIMMUNE DISEASES | Eberhard-Karls-Universität Tübingen (DE) | 2008-06-05 | — | — | WO | disclosed |