Water

Water

SCHEMBL8528580

CN(C)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[OH-]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

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)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.58
▸ HTR2A P28223 4/20 0.57
▸ HRH1 P35367 4/20 0.57
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CHRM2 P08172 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SCN1A P35498 2/20 0.46
▸ SCN2A Q99250 2/20 0.46
▸ SCN3A Q9NY46 2/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ HRH2 P25021 1/20 0.46

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL9549567 0.96 HIF1A (0.58) HIF1AHTR2AHRH1CYP1A2CYP2D6
Bromide SCHEMBL143506 0.96 HIF1A (0.58) HIF1AHTR2AHRH1CYP1A2CYP2D6
SCHEMBL8532850 0.96 HIF1A (0.58) HIF1AHTR2AHRH1CYP1A2CYP2D6
Iodide SCHEMBL9549744 0.96 HIF1A (0.58) HIF1AHTR2AHRH1CYP1A2CYP2D6
SCHEMBL8972950 0.90 HIF1A (0.52) HIF1AHTR2AHRH1CYP1A2CYP2D6
Phosphoric Acid SCHEMBL8972371 0.87 HTR2A (0.50) HIF1AHTR2AHRH1CYP1A2CYP2D6
Bicarbonate SCHEMBL8973196 0.87 TSHR (0.52) HIF1AHTR2AHRH1CYP1A2CYP2D6
Oxalic Acid SCHEMBL9549804 0.85 TSHR (0.50) HIF1AHTR2AHRH1CYP1A2CYP2D6
Acetic Acid SCHEMBL9549770 0.85 TSHR (0.50) HIF1AHTR2AHRH1CYP1A2CYP2D6
Acetic Acid SCHEMBL9848332 0.84 TSHR (0.49) HIF1AHTR2AHRH1CYP1A2CYP2D6

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1052988-C Process for producing aromatic polycarbonate MITSUBISHI CHEMICAL CO (JP) 2000-05-31 — — CN claimed
EP-0673959-B1 Process for producing aromatic polycarbonate MITSUBISHI CHEM CORP (JP) 1998-10-28 — — EP claimed
US-5527875-A Process for producing aromatic polycarbonate MITSUBISHI CHEMICAL CORPORATION (JP) 1996-06-18 — — US claimed
CN-1109894-A Process for producing aromatic polycarbonate MITSUBISHI CHEM CORP (JP) 1995-10-11 — — CN claimed
EP-0673959-A1 Process for producing aromatic polycarbonate Mitsubishi Chemical Corporation (JP) 1995-09-27 — — EP claimed
US-12460019-B2 Preparation of regenerated polysaccharides UNIVERSITAET ROSTOCK (DE) 2025-11-04 — — US disclosed
CN-115175943-B Preparation of regenerated polysaccharide 罗斯托克大学 2024-12-17 — — CN disclosed
US-20230050320-A1 PREPARATION OF REGENERATED POLYSACCHARIDES UNIVERSITAET ROSTOCK (DE) 2023-02-16 — — US disclosed
CN-115175943-A Preparation of regenerated polysaccharides 罗斯托克大学 2022-10-11 — — CN disclosed
EP-3990501-A1 PREPARATION OF REGENERATED POLYSACCHARIDES Universität Rostock (DE) 2022-05-04 — — EP disclosed
WO-2021130323-A1 PREPARATION OF REGENERATED POLYSACCHARIDES UNIVERSITÄT ROSTOCK (DE) 2021-07-01 — — WO disclosed
US-9217043-B2 Process for producing solid cellulose and process for producing cellulose ester DAICEL CORPORATION (JP) 2015-12-22 — — US disclosed
US-20140212670-A1 PROCESS FOR PRODUCING SOLID CELLULOSE AND PROCESS FOR PRODUCING CELLULOSE ESTER DAICEL CORPORATION (JP) 2014-07-31 — — US disclosed
US-20110311426-A1 PROCESS FOR THE PREPARATION OF FLUORINE COMPOUND STELLA CHEMIFA CORPORATION (JP) 2011-12-22 — — US disclosed
EP-2397438-A1 PROCESS FOR THE PREPARATION OF FLUORINE COMPOUND Stella Chemifa Corporation (JP) 2011-12-21 — — EP disclosed
CN-1052988-C Process for producing aromatic polycarbonate MITSUBISHI CHEMICAL CO (JP) 2000-05-31 — — CN disclosed
EP-0673959-B1 Process for producing aromatic polycarbonate MITSUBISHI CHEM CORP (JP) 1998-10-28 — — EP disclosed
US-5527875-A Process for producing aromatic polycarbonate MITSUBISHI CHEMICAL CORPORATION (JP) 1996-06-18 — — US disclosed
CN-1109894-A Process for producing aromatic polycarbonate MITSUBISHI CHEM CORP (JP) 1995-10-11 — — CN disclosed
EP-0673959-A1 Process for producing aromatic polycarbonate Mitsubishi Chemical Corporation (JP) 1995-09-27 — — EP disclosed
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