Water

Water

SCHEMBL7549052

CCCC(CC)[N+](CC)(CC)CC.[OH-]

nearest known ligand 0.33

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 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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 SCHEMBL5849103 0.94 TSHR (0.33) TSHR
SCHEMBL28348241 0.87
Sulfuric Acid SCHEMBL4752456 0.83 CYP3A4 (0.30) TSHR
SCHEMBL15969554 0.81 TSHR (0.31) TSHR
Water SCHEMBL7941486 0.80 SLC22A1 (0.33) TSHR
Iodide SCHEMBL11050168 0.79 OPRM1 (0.37) TSHR
Hydrochloric Acid SCHEMBL11190139 0.72 LMNA (0.38) TSHR
SCHEMBL1994789 0.71 TSHR (0.38) TSHR
SCHEMBL31374472 0.71 DNM1 (0.39) TSHR
Bromide SCHEMBL29773378 0.70 SLC22A1 (0.39) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020146650-A1 Photographic processing element and image forming method by the use thereof KONICA CORPORATION (JP) 2002-10-10 US disclosed
US-6455235-B1 PHOTOGRAPHIC PROCESSING ELEMENT COMPRISING PRECURSOR OF COLOR DEVELOPING AGENT KONICA CORPORATION (JP) 2002-09-24 US disclosed
EP-1109064-A1 Photographic processing element and image forming method by the use thereof KONICA CORPORATION (JP) 2001-06-20 EP disclosed