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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 4/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.31 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9165215 | 0.98 | DNM1 (0.42) | DNM1APPBBOX1PTGS1PDE4A | |
| SCHEMBL34923 | 0.93 | DNM1 (0.39) | DNM1APPBBOX1PTGS1PDE4A | |
| Sulfuric Acid SCHEMBL20573201 | 0.91 | BBOX1 (0.44) | DNM1APPBBOX1PTGS1PDE4A | |
| SCHEMBL34652 | 0.91 | DNM1 (0.46) | DNM1APPBBOX1PTGS1PDE4A | |
| SCHEMBL34922 | 0.90 | BBOX1 (0.42) | DNM1APPBBOX1PTGS1PDE4A | |
| Sulfuric Acid SCHEMBL20573200 | 0.90 | BBOX1 (0.42) | DNM1APPBBOX1PTGS1PDE4A | |
| SCHEMBL8738943 | 0.87 | DNM1 (0.38) | DNM1APPBBOX1PTGS1PDE4A | |
| SCHEMBL34817 | 0.87 | DNM1 (0.43) | DNM1APPBBOX1PTGS1PDE4A | |
| SCHEMBL17991832 | 0.87 | SLC22A1 (0.44) | DNM1APPBBOX1EPHX2SLC22A1 | |
| Water SCHEMBL16395834 | 0.86 | DNM1 (0.54) | DNM1EPHX2SLC22A1SLC22A2TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1646659-B1 | METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS | KIACTA S RL (CH) | 2014-05-14 | — | — | EP | disclosed |
| US-20110021813-A1 | PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | KONG XIANQI | 2011-01-27 | — | — | US | disclosed |
| US-20080027097-A1 | PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2008-01-31 | — | — | US | disclosed |
| US-7253306-B2 | Pharmaceutical drug candidates and methods for preparation thereof | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2007-08-07 | — | — | US | disclosed |
| EP-1646659-A2 | IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | Neurochem (International) Limited (CH) | 2006-04-19 | — | — | EP | disclosed |
| US-20050143462-A1 | Pharmaceutical drug candidates and methods for preparation thereof | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2005-06-30 | — | — | US | disclosed |
| WO-2004113391-A2 | IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2004-12-29 | — | — | WO | 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-20110021813-A1 | PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | MPST, TTR, STS | DNM1 952/4885APP 86/4885BBOX1 1213/4885 |
| US-20050143462-A1 | Pharmaceutical drug candidates and methods for preparation thereof | MPST, TTR, STS | DNM1 952/4885APP 86/4885BBOX1 1213/4885 |
| US-20080027097-A1 | PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | MPST, TTR, STS | DNM1 952/4885APP 86/4885BBOX1 1213/4885 |
“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.