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 | 0.89 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.89 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | HTR6 | P50406 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NT5E | P21589 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
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 SCHEMBL6448908 | 1.00 | TSHR (0.89) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL7194052 | 0.97 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL912228 | 0.97 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL9212693 | 0.97 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL28930 | 0.97 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL28988244 | 0.97 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL338461 | 0.97 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL11761395 | 0.97 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| Water SCHEMBL9064629 | 0.97 | TSHR (0.94) | TSHRSMN1; SMN2POLBCYP2D6HTR6 | |
| SCHEMBL1981608 | 0.97 | TSHR (0.94) | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912470-B | Synthetic method of 3- (benzenesulfonyl) propionic acid | 苏州华道生物药业股份有限公司 | 2021-01-05 | — | — | CN | claimed |
| CN-119855576-A | Dental product with reduced extrusion force | 舒万诺知识产权公司 | 2025-04-18 | — | — | CN | disclosed |
| CN-112055579-B | One-component dental adhesive composition for fixing dental composite materials | 3M创新有限公司 | 2024-01-23 | — | — | CN | disclosed |
| CN-113164444-A | DOCK1 inhibiting compounds and uses thereof | 国立大学法人九州大学 | 2021-07-23 | — | — | CN | disclosed |
| CN-109912470-B | Synthetic method of 3- (benzenesulfonyl) propionic acid | 苏州华道生物药业股份有限公司 | 2021-01-05 | — | — | CN | disclosed |
| CN-112055579-A | One-component dental adhesive composition for fixing dental composite material | 3M创新有限公司 | 2020-12-08 | — | — | CN | disclosed |
| CN-110678160-A | Dental adhesive composition, its preparation and use | 3M创新有限公司 | 2020-01-10 | — | — | CN | disclosed |
| US-20160040067-A1 | LIQUID CRYSTAL COMPOUND HAVING BUTENE-BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2016-02-11 | — | — | US | disclosed |
| US-8580146-B2 | Liquid crystal compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-11-12 | — | — | US | disclosed |
| EP-2206695-B1 | TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORP (JP) | 2013-09-18 | — | — | EP | disclosed |
| US-20120193577-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2012-08-02 | — | — | US | disclosed |
| US-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |
| US-20100309402-A1 | FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2010-12-09 | — | — | US | disclosed |
| EP-2206695-A1 | TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2010-07-14 | — | — | EP | 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 (3 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-20100309402-A1 | FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | KIF23, HCN3, FZD7 | TSHR 3244/4885SMN1; SMN2 3698/4885POLB 3810/4885 |
| US-20160040067-A1 | LIQUID CRYSTAL COMPOUND HAVING BUTENE-BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CXCR1, PIEZO1, L1CAM | TSHR 4646/4885SMN1; SMN2 3078/4885POLB 4182/4885 |
| US-20120193577-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | KIF23, MARK3, CCND3 | TSHR 4537/4885SMN1; SMN2 3930/4885POLB 2582/4885 |
“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.