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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 2/20 | 0.36 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18747668 | 0.96 | KDM4E (0.42) | CA12CA7CA14KDM4ECA9 | |
| SCHEMBL18747702 | 0.96 | KDM4E (0.42) | CA12CA7CA14KDM4ECA9 | |
| SCHEMBL18747671 | 0.96 | KDM4E (0.42) | CA12CA7CA14KDM4ECA9 | |
| SCHEMBL18747649 | 0.96 | KDM4E (0.42) | CA12CA7CA14KDM4ECA9 | |
| SCHEMBL161732 | 0.96 | KDM4E (0.42) | CA12CA7CA14KDM4ECA9 | |
| SCHEMBL28265984 | 0.94 | KDM4E (0.41) | CA12CA7CA14KDM4ECA9 | |
| Hydrochloric Acid SCHEMBL31674975 | 0.94 | KDM4E (0.41) | CA12CA7CA14KDM4ECA9 | |
| SCHEMBL18747676 | 0.94 | KDM4E (0.39) | CA12CA7CA14KDM4ECA9 | |
| Boric Acid SCHEMBL28085341 | 0.91 | DPP4 (0.40) | CA12CA7CA14KDM4ECA9 | |
| SCHEMBL18747653 | 0.90 | S1PR4 (0.36) | CA12CA7CA14KDM4ECXCR4 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112662596-B | Intermediate-temperature bacterium for producing alkali-resistant, metal ion-resistant and organic solvent ester hydrolase and application thereof | 自然资源部第二海洋研究所 | 2023-02-28 | — | — | CN | disclosed |
| CN-107189955-B | Novel deep-sea thermostable alkaline esterase and application thereof | 自然资源部第二海洋研究所 | 2022-07-15 | — | — | CN | disclosed |
| CN-112779186-B | Intermediate-temperature bacterium for producing ester hydrolase simultaneously resisting high salinity, organic solvent and detergent and application thereof | 自然资源部第二海洋研究所 | 2022-06-17 | — | — | CN | disclosed |
| CN-112779188-B | Medium-temperature bacterium for producing high-salinity tolerance ester hydrolase and application thereof | 自然资源部第二海洋研究所 | 2022-06-17 | — | — | CN | disclosed |
| CN-112760306-B | Family six ester hydrolase with high salinity, organic solvent and detergent tolerance, and coding gene and application thereof | 自然资源部第二海洋研究所 | 2022-06-17 | — | — | CN | disclosed |
| CN-110004125-B | Novel alkali-resistant and organic solvent-resistant esterase from marine bacteria and application thereof | 自然资源部第二海洋研究所 | 2022-05-20 | — | — | CN | disclosed |
| CN-112779188-A | Medium-temperature bacterium for producing high-salinity tolerance ester hydrolase and application thereof | 自然资源部第二海洋研究所 | 2021-05-11 | — | — | CN | disclosed |
| CN-112779186-A | Mesophilic bacterium for producing ester hydrolase simultaneously resisting high salinity, organic solvent and detergent and application thereof | 自然资源部第二海洋研究所 | 2021-05-11 | — | — | CN | disclosed |
| CN-112760306-A | Family six ester hydrolase with high salinity, organic solvent and detergent tolerance, and coding gene and application thereof | 自然资源部第二海洋研究所 | 2021-05-07 | — | — | CN | disclosed |
| CN-112662596-A | Intermediate-temperature bacterium for producing alkali-resistant, metal ion-resistant and organic solvent ester hydrolase and application thereof | 自然资源部第二海洋研究所 | 2021-04-16 | — | — | CN | disclosed |
| CN-109971734-B | PH-insensitive high-temperature-tolerant HSL family lipid hydrolase and application thereof | 杭州浦泰生物科技有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-109943550-B | Marine bacterium-derived esterase Erp3, and coding gene and application thereof | 自然资源部第二海洋研究所 | 2021-01-26 | — | — | CN | disclosed |
| CN-106754820-B | Protein esterase E8, expression and purification thereof, crystal structure and application thereof | 复旦大学 | 2020-07-28 | — | — | CN | disclosed |
| CN-111139229-A | Novel GDSL family lipid hydrolase EII-2 and coding gene and application thereof | 自然资源部第二海洋研究所 | 2020-05-12 | — | — | CN | disclosed |
| CN-107893060-B | Thermostable salt-tolerant SGNH family hydrolase derived from marine bacteria and application thereof | 自然资源部第二海洋研究所 | 2020-05-05 | — | — | CN | disclosed |
| CN-111057691-A | Novel GDSL family lipid hydrolase EII-3 and coding gene and application thereof | 自然资源部第二海洋研究所 | 2020-04-24 | — | — | CN | disclosed |
| CN-111019921-A | High-tolerance lipid hydrolase E93, and coding gene and application thereof | 自然资源部第二海洋研究所 | 2020-04-17 | — | — | CN | disclosed |
| CN-107384891-A | A kind of new Saline alkali tolerance esterase in deep-sea bacterium source and application | 国家海洋局第二海洋研究所 | 2017-11-24 | — | — | CN | disclosed |
| CN-107189955-A | A kind of deep-sea Novel thermostable alkaline esterase and application | 国家海洋局第二海洋研究所 | 2017-09-22 | — | — | CN | disclosed |