Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL22227457 | 0.98 | CA4 (0.50) | CA4ALDH1A1 | |
| SCHEMBL15995536 | 0.95 | CA4 (0.50) | CA4ALDH1A1 | |
| Zinc Ion SCHEMBL19813209 | 0.95 | CA4 (0.50) | CA4ALDH1A1 | |
| SCHEMBL9325401 | 0.95 | CA4 (0.50) | CA4ALDH1A1 | |
| SCHEMBL7121071 | 0.94 | CA4 (0.53) | CA4ALDH1A1 | |
| Citric Acid SCHEMBL7055559 | 0.90 | CA4 (0.49) | CA4ALDH1A1 | |
| Citric Acid SCHEMBL12481970 | 0.88 | CA4 (0.47) | CA4ALDH1A1 | |
| SCHEMBL29234711 | 0.86 | CA4 (0.55) | CA4ALDH1A1 | |
| Citric Acid SCHEMBL3633955 | 0.85 | CA4 (0.46) | CA4ALDH1A1 | |
| SCHEMBL4617845 | 0.83 | ALDH1A1 (0.48) | CA4ALDH1A1 |
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-9976068-B2 | Method of modulated exothermic chemical systems through phase change materials | UNIVERSITY OF SOUTH FLORIDA (US) | 2018-05-22 | — | — | US | disclosed |
| US-20160340566-A1 | METHOD OF MODULATED EXOTHERMIC CHEMICAL SYSTEMS THROUGH PHASE CHANGE MATERIALS | UNIVERSITY OF SOUTH FLORIDA (US) | 2016-11-24 | — | — | US | disclosed |
| US-9481821-B2 | Method of modulated exothermic chemical systems through phase change materials | UNIVERSITY OF SOUTH FLORIDA (US) | 2016-11-01 | — | — | US | disclosed |
| US-20130119301-A1 | METHOD OF MODULATED EXOTHERMIC CHEMICAL SYSTEMS THROUGH PHASE CHANGE MATERIALS | UNIVERSITY OF SOUTH FLORIDA (US) | 2013-05-16 | — | — | US | disclosed |
| US-20070289720-A1 | Self-Heating Chemical System for Sustained Modulation of Temperature | UNIVERSITY OF SOUTH FLORIDA (US) | 2007-12-20 | — | — | US | disclosed |