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 SCHEMBL3932080 | 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 1594 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119019274-A | Sitagliptin Synthesis method of intermediate | 中国科学院上海有机化学研究所 | 2024-11-26 | — | — | CN | claimed |
| US-20240327384-A1 | SALTS AND SOLID STATE FORMS OF A KIF18A INHIBITOR COMPOUND | AMGEN INC. (US) | 2024-10-03 | — | — | US | claimed |
| CN-112047883-B | Preparation method of atracurium cis-besylate | 上海特化医药科技有限公司 | 2024-04-19 | — | — | CN | claimed |
| US-20240109848-A1 | PROCESS FOR THE PREPARATION OF IMIDAZOBENZODIAZEPINES | ODH IP Corp. (US) | 2024-04-04 | — | — | US | claimed |
| CN-114243125-B | Electrolyte additive for lead-acid storage battery, electrolyte and preparation method | 山东金科力电源科技有限公司 | 2024-03-22 | — | — | CN | claimed |
| WO-2024059669-A2 | IMPROVED PROCESS FOR THE PREPARATION OF IMIDAZOBENZODIAZEPINES | ODH IP Corp. (US) | 2024-03-21 | — | — | WO | claimed |
| CN-117624107-A | Rhodamine fluorescent probe for mitochondrial dynamic STED imaging and preparation method thereof | 深圳大学 | 2024-03-01 | — | — | CN | claimed |
| CN-117567282-A | Method for preparing dimethyl adipate by palladium-catalyzed butadiene dicarbonylation | 华东理工大学 | 2024-02-20 | — | — | CN | claimed |
| US-20230000855-A1 | Substituted crotonamide pharmaceutical composition and preparation method therefor | JIANGSU MEDOLUTION LTD (CN) | 2023-01-05 | — | — | US | claimed |
| US-20220401427-A1 | COMPOSITION CONTAINING LEGOAMODIPINE BESYLATE HYDRATE AND PREPARATION METHOD THEREFOR | SHIHUIDA PHARMACEUTICALS GROUP (JILIN) LTD. (CN) | 2022-12-22 | — | — | US | claimed |
| US-6717015-B2 | REDUCED WATER SOLUBILITY; CRYSTALLINE; EASILY FORMULATED INTO EXTENDED RELEASE DOSAGES | SYNTHON BV (NL) | 2004-04-06 | — | — | US | claimed |
| US-20030195249-A1 | Venlafaxine besylate | SYNTHON BV | 2003-10-16 | — | — | US | claimed |
| WO-2003082804-A1 | VENLAFAXINE BESYLATE | SYNTHON B.V. (NL) | 2003-10-09 | — | — | WO | claimed |
| CN-1098280-C | Process for preparing phosphonate-terminated polymers | ROHM & HAAS (US) | 2003-01-08 | — | — | CN | claimed |
| CN-1332789-A | Bleach-containing detergent composition | PROCTER & GAMBLE (US) | 2002-01-23 | — | — | CN | claimed |
| US-6281285-B1 | MIXING WITH CHLOROSILANE | DOW CORNING CORPORATION | 2001-08-28 | — | — | US | claimed |
| CN-1278297-A | Detergent compositions | PROCTER & GAMBLE (US) | 2000-12-27 | — | — | CN | claimed |
| CN-1160057-A | Process for preparing phosphonate-terminated polymers | ROHM & HAAS (US) | 1997-09-24 | — | — | CN | claimed |
| US-4530939-A | Blend of resole, blowing agent and surfactant | THE DOW CHEMICAL COMPANY (US) | 1985-07-23 | — | — | US | claimed |
| US-4163741-A | PHENOL-FORMALDEHYDE RESOLE AS BINDER | LYASS ABRAM M (SU) | 1979-08-07 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 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-20220401427-A1 | COMPOSITION CONTAINING LEGOAMODIPINE BESYLATE HYDRATE AND PREPARATION METHOD THEREFOR | CACNA1D, CACNA1C, CACNA1S | TSHR 4461/4885SMN1; SMN2 4054/4885POLB 2440/4885 |
| US-20240109848-A1 | PROCESS FOR THE PREPARATION OF IMIDAZOBENZODIAZEPINES | CYP3A4, CYP3A5, CYP3A7 | TSHR 962/4885SMN1; SMN2 2348/4885POLB 695/4885 |
| US-20030195249-A1 | Venlafaxine besylate | HTR5A, HTR6, HTR2A | TSHR 2004/4885SMN1; SMN2 1144/4885POLB 3892/4885 |
| 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-20240327384-A1 | SALTS AND SOLID STATE FORMS OF A KIF18A INHIBITOR COMPOUND | KIF18A, KIF18B, KIF15 | TSHR 4004/4885SMN1; SMN2 302/4885POLB 998/4885 |
“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.