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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1960767 | 0.88 | LMNA (0.38) | CA1CA4CA5ACA5BLMNA | |
| SCHEMBL1959248 | 0.83 | — | — | |
| SCHEMBL122765 | 0.83 | LMNA (0.40) | CA1CA4CA5ACA5BLMNA | |
| SCHEMBL1959844 | 0.83 | — | — | |
| Lithium Ion SCHEMBL10938450 | 0.79 | LMNA (0.38) | CA1CA4CA5ACA5BLMNA | |
| Potassium Ion SCHEMBL10937160 | 0.79 | SLC34A1 (0.46) | CA1CA4CA5ACA5BLMNA | |
| SCHEMBL991666 | 0.79 | LMNA (0.38) | CA1CA4CA5ACA5BLMNA | |
| Potassium Ion SCHEMBL10939004 | 0.79 | SLC34A1 (0.46) | CA1CA4CA5ACA5BLMNA | |
| Water SCHEMBL31480045 | 0.79 | LMNA (0.38) | CA1CA4CA5ACA5BLMNA | |
| Potassium Ion SCHEMBL249441 | 0.79 | SLC34A1 (0.46) | CA1CA4CA5ACA5BLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8956595-B2 | Calcium peroxyphosphates and use thereof in dental compositions | ADA FOUNDATION (US) | 2015-02-17 | — | — | US | disclosed |
| US-20110142768-A1 | CALCIUM PEROXYPHOSPHATES AND USE THEREOF IN DENTAL COMPOSITIONS | ADA FOUNDATION (US) | 2011-06-16 | — | — | US | disclosed |
| US-7846411-B2 | Calcium peroxyphosphates and use thereof in dental compositions | ADA FOUNDATION (US) | 2010-12-07 | — | — | US | disclosed |
| WO-2006006998-A1 | CALCIUM PEROXYPHOSPHATES AND USE THEREOF IN DENTAL COMPOSITIONS | ADA FOUNDATION (US) | 2006-01-19 | — | — | WO | disclosed |
| US-20050281759-A1 | Calcium peroxyphosphates and use thereof in dental compositions | AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) | 2005-12-22 | — | — | US | disclosed |