Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.31 |
| ▸ | GGT1 | P19440 | 2/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6552817 | 0.96 | GGT1 (0.42) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| SCHEMBL29372593 | 0.96 | GGT1 (0.42) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| Hydrochloric Acid SCHEMBL28113514 | 0.94 | GGT1 (0.39) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| Phosphine SCHEMBL28013169 | 0.94 | GGT1 (0.41) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| Potassium SCHEMBL30918640 | 0.94 | GGT1 (0.41) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28094429 | 0.94 | GGT1 (0.41) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| Bromide SCHEMBL30125547 | 0.94 | GGT1 (0.41) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| Methane SCHEMBL28148285 | 0.94 | GGT1 (0.41) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| SCHEMBL28160153 | 0.94 | GGT1 (0.41) | GGT1NOD1CHRM1AKR1A1CHRM3 | |
| Hydrochloric Acid SCHEMBL28099524 | 0.94 | GGT1 (0.41) | GGT1NOD1CHRM1AKR1A1CHRM3 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108642116-A | A method of efficiently quickly preparing free astaxanthin | 中国海洋大学 | 2018-10-12 | — | — | CN | claimed |
| CN-104910178-B | A kind of preparation method of Piperacillin acid | 华北制药集团先泰药业有限公司 | 2017-06-13 | — | — | CN | claimed |
| CN-110358745-A | 4- xylitol dehydrogenase enzyme mutant and application thereof | 苏州科宁多元醇有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-110218667-A | One plant of bacterial strain SH-1 for producing alginate lyase and its application | 华南农业大学 | 2019-09-10 | — | — | CN | disclosed |
| CN-110205313-A | The expression and purification method of aspergillus awamori beta-1,3-1,4-dextranase | 中国农业大学 | 2019-09-06 | — | — | CN | disclosed |
| CN-110018210-A | A method of directly quickly detecting uric acid | 钟士博 | 2019-07-16 | — | — | CN | disclosed |
| CN-109781813-A | A method of directly quickly detecting nitrite | 钟士博 | 2019-05-21 | — | — | CN | disclosed |
| CN-106645561-B | A kind of method of calcium ions and magnesium ions content in measurement phosphoric acid solution | 太原理工大学 | 2019-03-19 | — | — | CN | disclosed |
| CN-108642116-A | A method of efficiently quickly preparing free astaxanthin | 中国海洋大学 | 2018-10-12 | — | — | CN | disclosed |
| CN-107586349-A | The method that neutral buffer extracts tremella polysaccharides | 福州大学 | 2018-01-16 | — | — | CN | disclosed |
| CN-105378466-B | Anion sensors | 株式会社日立高新技术 | 2017-11-24 | — | — | CN | disclosed |
| CN-107236753-A | The method that the construction method and conversion isoeugenol of isoeugenol monooxygenase activity aggregation produce vanillic aldehyde | 深圳大学 | 2017-10-10 | — | — | CN | disclosed |
| CN-106645561-A | Method for determining content of calcium and magnesium ions in phosphoric acid solution | 太原理工大学 | 2017-05-10 | — | — | CN | disclosed |
| CN-104111244-B | A kind of method of fluoroscopic examination silver ion content | 中国科学院化学研究所 | 2016-08-24 | — | — | CN | disclosed |