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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EEF2K | O00418 | 1/20 | 0.51 |
| ▸ | GNAI3 | P08754 | 3/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 3/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5793438 | 0.98 | EEF2K (0.52) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| SCHEMBL5793435 | 0.98 | EEF2K (0.52) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| SCHEMBL5796045 | 0.98 | EEF2K (0.52) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| SCHEMBL2928577 | 0.98 | EEF2K (0.52) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| SCHEMBL5796998 | 0.98 | EEF2K (0.52) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| Iodide SCHEMBL28957905 | 0.96 | EEF2K (0.55) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| Iodide SCHEMBL11780581 | 0.96 | EEF2K (0.55) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| Bromide SCHEMBL11783405 | 0.96 | EEF2K (0.51) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| Hydrochloric Acid SCHEMBL2008792 | 0.96 | EEF2K (0.51) | EEF2KGNAI3GNAO1GNAI1GBA1 | |
| SCHEMBL5796364 | 0.96 | EEF2K (0.50) | EEF2KGNAI3GNAO1GNAI1GBA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3931129-A | FLUOROELASTOMER COMPOSITION | DAIKIN KOGYO CO., LTD. (JA) | 1976-01-06 | — | — | US | disclosed |