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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.32 |
| ▸ | ITGAM | P11215 | 2/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 SCHEMBL9129677 | 0.80 | MAPT (0.41) | MAPTMEN1KMT2AKDM4EPKM | |
| SCHEMBL2004920 | 0.78 | MAPT (0.42) | MAPTMEN1KMT2AKDM4EPKM | |
| Water SCHEMBL10947451 | 0.77 | MAPT (0.54) | MAPTMEN1KMT2AKDM4EPKM | |
| SCHEMBL4830357 | 0.76 | KDM4E (0.55) | MAPTMEN1KMT2AKDM4EPKM | |
| SCHEMBL7250099 | 0.73 | MAPT (0.56) | MAPTMEN1KMT2AKDM4EPKM | |
| SCHEMBL4120155 | 0.71 | MAPT (0.48) | MAPTMEN1KMT2AKDM4EPKM | |
| Perchlorate SCHEMBL7256390 | 0.71 | KDM4E (0.50) | MAPTMEN1KMT2AKDM4EPKM | |
| Water SCHEMBL10948318 | 0.71 | MAPT (0.42) | MAPTKDM4EHSD17B10CYP2D6TSHR | |
| Iodide SCHEMBL7114184 | 0.70 | KDM4E (0.43) | MAPTMEN1KMT2AKDM4EPKM | |
| Betaine SCHEMBL5676650 | 0.70 | CYP2D6 (0.36) | MAPTKDM4ERAB9ATDP1HSD17B10 |
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-4524128-A | HEAT-BLEACHABLE CYANINE DYES, COLORLESS BACKGROUNDS | EASTMAN KODAK COMPANY (US) | 1985-06-18 | — | — | US | disclosed |