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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL1962923 | 0.95 | ALDH1A1 (0.50) | MEN1ALDH1A1TSHRKMT2AKDM4E | |
| Sulfuric Acid SCHEMBL28062822 | 0.90 | MEN1 (0.46) | MEN1ALDH1A1TSHRKMT2AKDM4E | |
| Water SCHEMBL11568056 | 0.90 | MEN1 (0.46) | MEN1ALDH1A1TSHRKMT2AKDM4E | |
| SCHEMBL9400751 | 0.90 | MEN1 (0.46) | MEN1ALDH1A1TSHRKMT2AKDM4E | |
| SCHEMBL21065818 | 0.90 | MEN1 (0.46) | MEN1ALDH1A1TSHRKMT2AKDM4E | |
| SCHEMBL3369423 | 0.89 | — | — | |
| Lithium Ion SCHEMBL2231463 | 0.84 | — | — | |
| SCHEMBL9124386 | 0.84 | ALDH1A1 (0.50) | MEN1ALDH1A1TSHRKMT2AKDM4E | |
| SCHEMBL5454218 | 0.84 | ALDH1A1 (0.50) | MEN1ALDH1A1TSHRKMT2AKDM4E | |
| Zinc Ion SCHEMBL7212485 | 0.84 | ALDH1A1 (0.50) | MEN1ALDH1A1TSHRKMT2AKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2868213-B1 | Wrapping material for smoking products having controlled smouldering properties | GLATZ JULIUS GMBH (DE) | 2016-07-20 | — | — | EP | disclosed |
| EP-2868213-A1 | Wrapping material for smoking products having controlled smouldering properties | Julius Glatz GmbH (DE) | 2015-05-06 | — | — | EP | disclosed |