Water

Water

SCHEMBL31012149

[OH-].c1ccc(C[N+]23CCC(CC2)CC3)cc1

nearest known ligand 0.62

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 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.62
ACHE P22303 1/20 0.62
CHKA P35790 1/20 0.56
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
HIF1A Q16665 1/20 0.47
CHRM3 P20309 4/20 0.40
CHRM2 P08172 3/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
CHRM1 P11229 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2344944 0.98 BCHE (0.65) BCHEACHECHKACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL27524696 0.96 BCHE (0.62) BCHEACHECHKACHRNB2CHRNA4
Bromide SCHEMBL6889492 0.96 BCHE (0.68) BCHEACHECHKACHRNB2CHRNA4
SCHEMBL13326546 0.82 HIF1A (0.58) BCHEACHECHKACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL11729334 0.80 HIF1A (0.56) BCHEACHECHKACHRNB2CHRNA4
SCHEMBL14068696 0.79 CHKA (0.65) BCHEACHECHKACHRNB2CHRNA4
SCHEMBL692081 0.78 CHRM3 (0.50) BCHEACHECHRNB2CHRNA4CHRNB4
SCHEMBL14031427 0.78 CHKA (0.59) BCHEACHECHKACHRNB2CHRNA4
SCHEMBL13941294 0.76 CHKA (0.57) BCHEACHECHKACHRNB2CHRNA4
Hydrochloric Acid SCHEMBL10997929 0.76 CHKA (0.57) BCHEACHECHKACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12434975-B2 Method for manufacture of pure silica zeolites in the presence of ODSO SAUDI ARABIAN OIL COMPANY (SA) 2025-10-07 US disclosed
US-20240246829-A1 METHOD FOR MANUFACTURE OF PURE SILICA ZEOLITES IN THE PRESENCE OF ODSO SAUDI ARABIAN OIL COMPANY (SA) 2024-07-25 US disclosed