Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 SCHEMBL31076329 | 1.00 | PTGS1 (0.56) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| Water SCHEMBL162527 | 1.00 | PTGS1 (0.56) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL2622 | 0.95 | PTGS1 (0.60) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL21777928 | 0.95 | PTGS1 (0.60) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| Hydrochloric Acid SCHEMBL14053301 | 0.91 | PTGS1 (0.56) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL2524419 | 0.91 | PTGS1 (0.56) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL11359486 | 0.91 | PTGS1 (0.56) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL2288880 | 0.91 | PTGS1 (0.56) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL2521154 | 0.91 | PTGS1 (0.56) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL20607658 | 0.91 | PTGS1 (0.56) | PTGS1PDE4ALMNASLC6A6CYP2C19 |
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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115385871-A | Shuxinding salt | 沪亚生物国际有限公司 | 2022-11-25 | — | — | CN | claimed |
| EP-3710446-B1 | COMPOUNDS USEFUL FOR INHIBITING CDK7 | LILLY CO ELI (US) | 2022-07-20 | — | — | EP | claimed |
| EP-3710446-A1 | COMPOUNDS USEFUL FOR INHIBITING CDK7 | Eli Lilly and Company (US) | 2020-09-23 | — | — | EP | claimed |
| US-12527783-B2 | Salts/cocrystals of (R)-N-(4-chlorophenyl-2-((1S,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2026-01-20 | — | — | US | disclosed |
| EP-4603143-A2 | CRYSTAL OF PYRROLIDINE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2025-08-20 | — | — | EP | disclosed |
| US-20250136583-A1 | NOVEL SALT FORMS OF ISOCHROMAN-IMIDAZOLE STRUCTURED ALPHA-2A ADRENOCEPTOR AGONIST | ORION CORPORATION (FI) | 2025-05-01 | — | — | US | disclosed |
| US-20250000871-A1 | PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE | WISTA LABORATORIES LTD. (SG) | 2025-01-02 | — | — | US | disclosed |
| EP-3903785-B1 | COCRYSTAL OF PHOSPHORIC ACID AND A MC1R AGONSIST | MITSUBISHI TANABE PHARMA CORP (JP) | 2024-10-02 | — | — | EP | disclosed |
| CN-118715218-A | Novel salts of alpha-2A adrenergic receptor agonists of the isochroman-imidazole structure | 奥赖恩公司 | 2024-09-27 | — | — | CN | disclosed |
| EP-4434582-A2 | CRYSTAL OF PYRROLIDINE COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2024-09-25 | — | — | EP | disclosed |
| EP-2262775-B1 | (E)-N-(2-AMINO-PHENYL)-3-{1-[4-(1-METHYL-1H-PYRAZOL-4-YL)-BENZENESULFONYL]-1H-PYRROL-3-YL}-ACRYLAMIDE SALTS | 4SC AG (DE) | 2024-09-04 | — | — | EP | disclosed |
| WO-2009052625-A1 | NOVEL CRYSTALLINE SALTS OF MONTELUKAST | MERCK FROSST CANADA LTD. (CA) | 2009-04-30 | — | — | WO | disclosed |
| WO-2008154469-A1 | QUINAZOLINE SALT COMPOUNDS | SMITHKLINE BEECHAM (CORK) LIMITED (IE) | 2008-12-18 | — | — | WO | disclosed |
| EP-1896026-A2 | PROCESS FOR PREPARING TIOTROPIUM SALTS, TIOTROPIUM SALTS AS SUCH AND PHARMACEUTICAL COMPOSITIONS THEREOF | Boehringer Ingelheim International GmbH (DE) | 2008-03-12 | — | — | EP | disclosed |
| EP-1817281-A1 | N- [(3S)- PYRROLIDIN-3-YL]- BENZAMIDE DERIVATIVES AS MONOAMINE RE-UPTAKE INHIBITORS | Pfizer Limited (GB) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006134021-A2 | PROCESS FOR PREPARING TIOTROPIUM SALTS, TIOTROPIUM SALTS AS SUCH AND PHARMACEUTICAL COMPOSITIONS THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-12-21 | — | — | WO | disclosed |
| US-20060287530-A1 | Salt formtion of tiotropium bicarbonate in solvent | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-12-21 | — | — | US | disclosed |
| US-7122683-B2 | Amides useful as monoamine re-uptake inhibitors | PFIZER INC. (US) | 2006-10-17 | — | — | US | disclosed |
| WO-2006056884-A1 | N- [ (3S)- PYRROLIDIN-3-YL]- BENZAMIDE DERIVATIVES AS MONOAMINE RE-UPTAKE INHIBITORS | PFIZER LIMITED (GB) | 2006-06-01 | — | — | WO | disclosed |
| US-20060111429-A1 | Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting | PFIZER INC | 2006-05-25 | — | — | 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 (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-20060111429-A1 | Substituted N-[pyrrolidin-3-yl] benzamides or naphthamides; serotonin and noradrenaline receptor antagonists; urinary incontinence; arylation of the amino pyrrolidine with a carboxylic acid or acyl halide and then deprotecting | ADRB3, AOC3, HRH4 | PTGS1 2762/4885PDE4A 1528/4885LMNA 3015/4885 |
| US-20060287530-A1 | Salt formtion of tiotropium bicarbonate in solvent | SLC6A5, SLC6A1, SLC6A11 | PTGS1 1760/4885PDE4A 117/4885LMNA 4506/4885 |
| US-12527783-B2 | Salts/cocrystals of (R)-N-(4-chlorophenyl-2-((1S,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanamide | SCN3A, CHRND, SCN2B | PTGS1 4748/4885PDE4A 212/4885LMNA 1486/4885 |
| US-20250136583-A1 | NOVEL SALT FORMS OF ISOCHROMAN-IMIDAZOLE STRUCTURED ALPHA-2A ADRENOCEPTOR AGONIST | ADRA2C, ADRA2A, ADRB2 | PTGS1 1763/4885PDE4A 311/4885LMNA 2351/4885 |
| US-20250000871-A1 | PHENOTHIAZINE DIAMINIUM SALTS AND THEIR USE | QDPR, SLC35A1, SLC6A7 | PTGS1 1693/4885PDE4A 1212/4885LMNA 3722/4885 |
“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.