Water

Water

SCHEMBL31228205

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

nearest known ligand 0.52

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
TSHR P16473 5/20 0.52
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
TBXA2R P21731 1/20 0.38
MAPT P10636 3/20 0.37
GALR3 O60755 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CRAT P43155 1/20 0.37
ACACB O00763 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.32

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
SCHEMBL2140805 0.98 TSHR (0.54) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL1483412 0.96 TSHR (0.52) TSHRCHRM2CHRM4CHRM1TBXA2R
Sulfuric Acid SCHEMBL31228173 0.90 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6116476 0.84 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
Bromide SCHEMBL6117220 0.80 TSHR (0.47) TSHRACACBALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL4615371 0.80 TSHR (0.47) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL10359751 0.79 TSHR (0.50) TSHRACACBALDH1A1MAPK1TDP1
Water SCHEMBL31410939 0.78 TSHR (0.44) TSHRSMN1; SMN2CRATACACBALDH1A1
Bromide SCHEMBL6116803 0.78 TSHR (0.48) TSHRACACBALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL7906759 0.78 TSHR (0.48) TSHRSMN1; SMN2ACACBALDH1A1MAPK1

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 TSHR 1255/4885CHRM2 2228/4885CHRM4 3279/4885
US-12618000-B2 Friction reduction of acidic treatment fluids GFER, FGB, NSF TSHR 1564/4885CHRM2 4253/4885CHRM4 4433/4885

“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.