Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.94 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.94 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | HTR6 | P50406 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL912228 | 1.00 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL9212693 | 1.00 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL338461 | 1.00 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL28988244 | 1.00 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL9064629 | 1.00 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL28897252 | 0.97 | TSHR (0.89) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL22581616 | 0.97 | TSHR (0.89) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL22581637 | 0.97 | TSHR (0.89) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL2863471 | 0.97 | TSHR (0.89) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL28907958 | 0.97 | TSHR (0.89) | TSHRSMN1; SMN2POLBCYP2D6HTR6 |
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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230000855-A1 | Substituted crotonamide pharmaceutical composition and preparation method therefor | JIANGSU MEDOLUTION LTD (CN) | 2023-01-05 | — | — | US | claimed |
| CN-107531728-A | Amino hydrogen thiazine derivative available for the tetrahydrofuran fusion for the treatment of Alzheimer's | 伊莱利利公司 | 2018-01-02 | — | — | CN | claimed |
| CN-106555328-A | A kind of SODIUM PERCARBONATE cashmere bleaching liquid and its method for bleaching | 江苏阳光毛纺服装技术开发有限公司 | 2017-04-05 | — | — | CN | claimed |
| CN-102552054-B | Effervescent tablet for false teeth as well as preparation method and application of effervescent tablet | NANJING HUASHI CHEMICAL CO LTD | 2013-06-12 | — | — | CN | claimed |
| CN-102552054-A | Effervescent tablet for false teeth as well as preparation method and application of effervescent tablet | NANJING HUASHI CHEMICAL CO LTD | 2012-07-11 | — | — | CN | claimed |
| CN-101210212-A | Special-purpose cleaning agent for washing machine | SHANGHAI HEHUANG WHITECAT CO L (CN) | 2008-07-02 | — | — | CN | claimed |
| CN-1262632-C | Bleach compositions containing metal bleach catalyst, and bleach activators and/or organic percarboxylic acids | PROCTER & GAMBLE (US) | 2006-07-05 | — | — | CN | claimed |
| CN-1153562-C | Hair coloring compositions | �����غʱ�����˾ | 2004-06-16 | — | — | CN | claimed |
| CN-1088102-C | Bleaching compositions comprising protease | PROCTER & GAMBLE (US) | 2002-07-24 | — | — | CN | claimed |
| CN-1318096-A | Fabric care and laundry compsns. comprising low molecular weight linear on cyclic polyamines | PROCTER & GAMBLE (US) | 2001-10-17 | — | — | CN | claimed |
| CN-1253583-A | Bleach compositions containing metal bleach catalyst, and bleach activators and/or organic percarboxylic acids | PROCTER & GAMBLE (US) | 2000-05-17 | — | — | CN | claimed |
| CN-1209163-A | Phosphate-assisted automatic dishwashing composition comprising a catalyst | PROCTER & GAMBLE (US) | 1999-02-24 | — | — | CN | claimed |
| CN-1200758-A | Bleach compositions comprising oleoyl sarcosinate surfactants | PROCTER & GAMBLE (US) | 1998-12-02 | — | — | CN | claimed |
| CN-1192777-A | Nonaqueous, particulate-containing liquid detergent compositions containing alkylbenzene sulfonate surfactants | PROCTER & GAMBLE (US) | 1998-09-09 | — | — | CN | claimed |
| CN-1137288-A | Bleaching compositions comprising protease | PROCTER & GAMBLE (US) | 1996-12-04 | — | — | CN | claimed |
| CN-122055156-A | (R) -N-ethyl-5-fluoro-N-isopropyl-2- ((5- (2- (6- ((2-methoxyethyl) (methyl) amino) -2-methyl-hex-3-yl) -2, 6-diazaspiro [3.4] oct-6-yl) -1,2, 4-triazin-6-yl) oxy) benzamide, formulations and dosing regimens for treating cancer | 詹森药业有限公司 | 2026-05-15 | — | — | CN | disclosed |
| US-20260125387-A1 | (R)-N-ETHYL-5-FLUORO-N-ISOPROPYL-2-((5-(2-(6-((2-METHOXYETHYL)(METHYL)AMINO)-2-METHYLHEXAN-3-YL)-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-1,2,4-TRIAZIN-6-YL)OXY)BENZAMIDE BESYLATE SALT | JANSSEN PHARMACEUTICA NV (BE) | 2026-05-07 | — | — | US | disclosed |
| CN-1061431-A | The detergent composition that contains polyhydroxy fatty acid amide surfactants and polymeric dispersant | PROCTER & GAMBLE (US) | 1992-05-27 | — | — | CN | disclosed |
| CN-1061244-A | Polyhydroxy fatty acid amide in the polycarboxylate built detergent | PROCTER & GAMBLE (US) | 1992-05-20 | — | — | CN | disclosed |
| CN-1061042-A | Be used to improve the polyhydroxy fatty acid amide surfactant of enzyme performance | PROCTER & GAMBLE (US) | 1992-05-13 | — | — | CN | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230000855-A1 | Substituted crotonamide pharmaceutical composition and preparation method therefor | CROCC, GYPA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | TSHR 4083/4885SMN1; SMN2 2376/4885POLB 3349/4885 |
| US-20260125387-A1 | (R)-N-ETHYL-5-FLUORO-N-ISOPROPYL-2-((5-(2-(6-((2-METHOXYETHYL)(METHYL)AMINO)-2-METHYLHEXAN-3-YL)-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-1,2,4-TRIAZIN-6-YL)OXY)BENZAMIDE BESYLATE SALT | MLLT1, MEN1, MLLT3 | TSHR 2644/4885SMN1; SMN2 247/4885POLB 3629/4885 |
“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.