Water

Water

SCHEMBL31228224

C=CC(=O)NCC[N+](C)(C)C.[OH-]

nearest known ligand 0.50

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
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ACHE P22303 2/20 0.43
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.36
TGM2 P21980 3/20 0.34
BBOX1 O75936 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRNB2 P17787 2/20 0.31
CHRM3 P20309 2/20 0.31
CHRNA7 P36544 2/20 0.31
CHRNA4 P43681 2/20 0.31

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
SCHEMBL3133989 0.98 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
Bromide SCHEMBL28656527 0.96 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL137143 0.96 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5850624 0.96 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL27707483 0.92 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
Acrylamide SCHEMBL713794 0.89 ZDHHC20 (0.44) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
Sulfuric Acid SCHEMBL6478258 0.89 ZDHHC20 (0.44) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
Water SCHEMBL2355003 0.88 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
SCHEMBL29003384 0.87 ZDHHC20 (0.51) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1
SCHEMBL192702 0.86 ZDHHC20 (0.58) ZDHHC20ZDHHC2TSHRMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12618000-B2 Friction reduction of acidic treatment fluids HALLIBURTON ENERGY SERVICES, INC. (US) 2026-05-05 US disclosed
US-20260071533-A1 TREATMENT FLUID SELECTION HALLIBURTON ENERGY SERVICES, INC. (US) 2026-03-12 US disclosed
US-12247165-B2 Anti-syneresis agents for fracturing operations HALLIBURTON ENERGY SERVICES, INC. (US) 2025-03-11 US disclosed
US-20250075122-A1 ADDITIVES TO PREVENT THERMAL THINNING IN POLYMER GEL SYSTEMS HALLIBURTON ENERGY SERVICES, INC. (US) 2025-03-06 US disclosed
US-20250051634-A1 ANTI-SYNERESIS AGENTS FOR FRACTURING OPERATIONS HALLIBURTON ENERGY SERVICES, INC. (US) 2025-02-13 US disclosed
US-20250051635-A1 FRICTION REDUCTION OF ACIDIC TREATMENT FLUIDS HALLIBURTON ENERGY SERVICES, INC. (US) 2025-02-13 US disclosed
WO-2025006003-A1 FRICTION REDUCTION OF ACIDIC TREATMENT FLUIDS HALLIBURTON ENERGY SERVICES, INC. (US) 2025-01-02 WO disclosed
US-12139667-B1 Friction reduction of acidic treatment fluids HALLIBURTON ENERGY SERVICES, INC. (US) 2024-11-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260071533-A1 TREATMENT FLUID SELECTION PLG, SOST, CSTB ZDHHC20 1858/4885ZDHHC2 2501/4885TSHR 1255/4885
US-12618000-B2 Friction reduction of acidic treatment fluids GFER, FGB, NSF ZDHHC20 4132/4885ZDHHC2 4203/4885TSHR 1564/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.