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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 6/20 | 0.74 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11806867 | 0.97 | DNM1 (0.78) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL22946651 | 0.94 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| SCHEMBL28182998 | 0.94 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485327 | 0.94 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL7554272 | 0.94 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485899 | 0.94 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL3485118 | 0.94 | DNM1 (0.83) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL1332993 | 0.94 | SLC22A1 (0.69) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Hydrochloric Acid SCHEMBL8735491 | 0.92 | DNM1 (0.79) | DNM1SLC22A1ALDH1A1TP53CYP3A4 | |
| Water SCHEMBL7550104 | 0.92 | DNM1 (0.79) | DNM1SLC22A1ALDH1A1TP53CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-10370767-B2 | Process for preparing alcohols by electrochemical reductive coupling | BASF SE (DE) | 2019-08-06 | — | — | US | disclosed |
| EP-3180459-B1 | PROCESS FOR PREPARING ALCOHOLS BY ELECTROCHEMICAL REDUCTIVE COUPLING | BASF SE (DE) | 2019-01-09 | — | — | EP | disclosed |
| US-20170233874-A1 | PROCESS FOR PREPARING ALCOHOLS BY ELECTROCHEMICAL REDUCTIVE COUPLING | BASF SE (DE) | 2017-08-17 | — | — | US | disclosed |
| EP-3180459-A1 | PROCESS FOR PREPARING ALCOHOLS BY ELECTROCHEMICAL REDUCTIVE COUPLING | BASF SE (DE) | 2017-06-21 | — | — | EP | disclosed |
| WO-2016023951-A1 | PROCESS FOR PREPARING ALCOHOLS BY ELECTROCHEMICAL REDUCTIVE COUPLING | BASF SE (DE) | 2016-02-18 | — | — | WO | disclosed |
| EP-2985364-A1 | Process for preparing alcohols by electrochemical reductive coupling | BASF SE (DE) | 2016-02-17 | — | — | EP | disclosed |
| US-5593557-A | ELECTROHYDRODIMERIZATION OF ACRYLONITRILE | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-14 | — | — | US | disclosed |