Water

Water

SCHEMBL7715787

C=C(C)C(=O)NC[N+](C)(C)CCC.[OH-]

nearest known ligand 0.31

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 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL809315 0.98 TGFBR1 (0.32) TGFBR1KDM4EALDH1A1
Bromide SCHEMBL4456365 0.96 DNM1 (0.32) TGFBR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL201995 0.96 THRB (0.32) TGFBR1KDM4EALDH1A1
SCHEMBL9451788 0.82 TGFBR1 (0.33) TGFBR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL782053 0.81
Hydrochloric Acid SCHEMBL717635 0.81 THRB (0.33) TGFBR1KDM4EALDH1A1
Iodide SCHEMBL27449413 0.81 TGFBR1 (0.32) TGFBR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10949727 0.79 TGFBR1 (0.33) TGFBR1
SCHEMBL151383 0.79 DNM1 (0.39)
Hydrochloric Acid SCHEMBL21801687 0.76 SLC22A1 (0.31) TGFBR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525356-A Amphoteric N-substituted acrylamide hydrogel and method MEDTRONIC, INC. (US) 1996-06-11 US claimed
EP-0481042-B1 AMPHOTERIC HYDROGEL FOR MEDICAL DEVICES MEDTRONIC INC (US) 1995-07-12 EP claimed
US-5264125-A Cationic or anionic addition monomer with crosslinking monomer and a diluent for nonporous membranes IONICS' INCORPORATED (US) 1993-11-23 US claimed
EP-0481042-A1 AMPHOTERIC HYDROGEL FOR MEDICAL DEVICES. MEDTRONIC INC (US) 1992-04-22 EP claimed
WO-1991015250-A1 AMPHOTERIC HYDROGEL FOR MEDICAL DEVICES MEDTRONIC, INC. (US) 1991-10-17 WO claimed
US-6380456-B1 URINE ABSORPTION THE PROCTOR & GAMBLE COMPANY 2002-04-30 US disclosed
US-6258996-B1 MULTILAYER; ABSORPTION OF URINE THE PROCTER & GAMBLE COMPANY 2001-07-10 US disclosed
EP-0964894-A1 MIXED-BED ION-EXCHANGE HYDROGEL-FORMING POLYMER COMPOSITIONS AND ABSORBENT MEMBERS COMPRISING RELATIVELY HIGH CONCENTRATIONS OF THESE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-12-22 EP disclosed
WO-1998037149-A1 MIXED-BED ION-EXCHANGE HYDROGEL-FORMING POLYMER COMPOSITIONS AND ABSORBENT MEMBERS COMPRISING RELATIVELY HIGH CONCENTRATIONS OF THESE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-08-27 WO disclosed
US-5525356-A Amphoteric N-substituted acrylamide hydrogel and method MEDTRONIC, INC. (US) 1996-06-11 US disclosed
US-5525356-A Amphoteric N-substituted acrylamide hydrogel and method MEDTRONIC, INC. (US) 1996-06-11 US disclosed
EP-0481042-B1 AMPHOTERIC HYDROGEL FOR MEDICAL DEVICES MEDTRONIC INC (US) 1995-07-12 EP disclosed
EP-0586566-A4 SALT TOLERANT SUPER ABSORBENTS. MASSACHUSETTS INST TECHNOLOGY (US) 1994-11-02 EP disclosed
EP-0586566-A1 SALT TOLERANT SUPER ABSORBENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-03-16 EP disclosed
US-5274018-A Salt tolerant super absorbents MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1993-12-28 US disclosed
WO-1992020735-A1 SALT TOLERANT SUPER ABSORBENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-11-26 WO disclosed
EP-0481042-A1 AMPHOTERIC HYDROGEL FOR MEDICAL DEVICES. MEDTRONIC INC (US) 1992-04-22 EP disclosed
EP-0481042-A1 AMPHOTERIC HYDROGEL FOR MEDICAL DEVICES. MEDTRONIC INC (US) 1992-04-22 EP disclosed
WO-1991015250-A1 AMPHOTERIC HYDROGEL FOR MEDICAL DEVICES MEDTRONIC, INC. (US) 1991-10-17 WO disclosed
WO-1991015250-A1 AMPHOTERIC HYDROGEL FOR MEDICAL DEVICES MEDTRONIC, INC. (US) 1991-10-17 WO disclosed