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 | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.61 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.61 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.61 |
| ▸ | KDM4A | O75164 | 4/20 | 0.51 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.51 |
| ▸ | INSR | P06213 | 2/20 | 0.44 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 SCHEMBL7040807 | 1.00 | CHRM2 (0.61) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL26644133 | 0.99 | CHRM2 (0.62) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL13629539 | 0.95 | CHRM2 (0.61) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6418092 | 0.94 | CHRM2 (0.57) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9016124 | 0.94 | CHRM2 (0.57) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL25174360 | 0.94 | CHRM2 (0.57) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL6418098 | 0.94 | CHRM2 (0.57) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9016121 | 0.94 | CHRM2 (0.57) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL14984184 | 0.91 | KDM4A (0.58) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| Water SCHEMBL22655270 | 0.90 | CHRM2 (0.51) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030002029-A1 | Marked, difficult-to-counterfeit documents | INKSURE LTD. (IL) | 2003-01-02 | — | — | US | disclosed |
| EP-1196822-A1 | MARKED, DIFFICULT-TO-COUNTERFEIT DOCUMENTS | Inksure Ltd. (IL) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001017784-A1 | GENUINE PRINTING REFILL AND METHOD | INKSURE LTD. (IL) | 2001-03-15 | — | — | WO | disclosed |
| WO-2000079347-A1 | MARKED, DIFFICULT-TO-COUNTERFEIT DOCUMENTS | INKSURE LTD. (IL) | 2000-12-28 | — | — | WO | disclosed |