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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GRK2 | P25098 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 SCHEMBL1827725 | 0.89 | — | — | |
| SCHEMBL2289756 | 0.87 | — | — | |
| Water SCHEMBL3635067 | 0.85 | — | — | |
| SCHEMBL2888595 | 0.82 | — | — | |
| SCHEMBL18480410 | 0.69 | EPHX1 (0.32) | — | |
| SCHEMBL29172471 | 0.68 | CA12 (0.50) | MEN1LMNAPOLBGRK2KMT2A | |
| SCHEMBL5127346 | 0.66 | CA2 (0.64) | LMNA | |
| Water SCHEMBL117889 | 0.66 | EPHX1 (0.31) | — | |
| SCHEMBL5874470 | 0.65 | SLC22A1 (0.41) | — | |
| SCHEMBL13017382 | 0.65 | ATM (0.37) | MEN1LMNAKMT2A |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120065188-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC | 2012-03-15 | — | — | US | disclosed |
| US-20110092480-A1 | Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions | PFIZER INC. | 2011-04-21 | — | — | US | disclosed |
| WO-2010064219-A1 | PROCESS FOR THE PREPARATION OF A NOVEL INTERMEDIATE FOR CASPOFUNGIN | RANBAXY LABORATORIES LIMITED (IN) | 2010-06-10 | — | — | WO | disclosed |
| US-20080280879-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC | 2008-11-13 | — | — | US | disclosed |
| EP-0535968-B1 | Cyclohexapeptidyl hydroxypropionitrile compounds | MERCK & CO INC (US) | 2003-05-14 | — | — | EP | disclosed |
| US-6268338-B1 | USEFUL AS AN ANTIBIOTIC, ESPECIALLY AS AN ANTIFUNGAL AGENT OR AS AN ANTIPROTOZOAL AGENT. | MERCK & CO., INC. | 2001-07-31 | — | — | US | disclosed |
| US-6030944-A | AS ANTIBIOTIC | MERCK & CO., INC. (US) | 2000-02-29 | — | — | US | disclosed |
| EP-0779895-B1 | AN IMPROVED PROCESS FOR PREPARING SIDE CHAIN DERIVATIVES OF CYCLOHEXAPEPTIDYL LIPOPEPTIDES | MERCK & CO INC (US) | 1999-11-17 | — | — | EP | disclosed |
| US-5948753-A | ANTIBIOTIC | MERCK & CO., INC. (US) | 1999-09-07 | — | — | US | disclosed |
| US-5939384-A | ANTIBIOTICS AS ANTIFUNGAL COMPOUNDS AND ANTIPROTOZOA AGENTS | MERCK & CO., INC. (US) | 1999-08-17 | — | — | US | disclosed |
| EP-0707488-A1 | CYCLOHEXAPEPTIDYL AMINE COMPOUNDS | MERCK & CO. INC. (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1996008267-A1 | SEMI-SYNTHETIC LIPOPEPTIDES, COMPOSITIONS CONTAINING SAID LIPOPEPTIDES, AND METHODS OF USE | MERCK & CO., INC. (US) | 1996-03-21 | — | — | WO | disclosed |
| EP-0701447-A1 | CYCLOHEXAPEPTIDYL PROPANOLAMINE COMPOUNDS | MERCK & CO. INC. (US) | 1996-03-20 | — | — | EP | disclosed |
| WO-1996006109-A1 | AN IMPROVED PROCESS FOR PREPARING SIDE CHAIN DERIVATIVES OF CYCLOHEXAPEPTIDYL LIPOPEPTIDES | MERCK & CO., INC. (US) | 1996-02-29 | — | — | WO | disclosed |
| WO-1994025048-A1 | CYCLOHEXAPEPTIDYL AMINE COMPOUNDS | MERCK & CO., INC. (US) | 1994-11-10 | — | — | WO | disclosed |
| WO-1994025050-A1 | CYCLOHEXAPEPTIDYL PROPANOLAMINE COMPOUNDS | MERCK & CO., INC. (US) | 1994-11-10 | — | — | WO | disclosed |
| US-5348940-A | Fungicidal antibiotics | MERCK & CO., INC. (US) | 1994-09-20 | — | — | US | disclosed |
| EP-0535968-A1 | Cyclohexapeptidyl hydroxypropionitrile compounds | MERCK & CO. INC. (US) | 1993-04-07 | — | — | EP | disclosed |
| EP-0535959-A1 | Cyclohexapeptidyl propanolamine compounds | MERCK & CO. INC. (US) | 1993-04-07 | — | — | EP | disclosed |
| EP-0535967-A2 | Cyclohexapeptidyl bisamine compounds | MERCK & CO. INC. (US) | 1993-04-07 | — | — | 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-20120065188-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | XDH, CYP2D6, F12 | MEN1 540/4885LMNA 1804/4885POLB 2797/4885 |
| US-20080280879-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | XDH, CYP2D6, F12 | MEN1 540/4885LMNA 1804/4885POLB 2797/4885 |
| US-20110092480-A1 | Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions | XDH, CYP2D6, F12 | MEN1 540/4885LMNA 1804/4885POLB 2797/4885 |
“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.