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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.32 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAD52 | P43351 | 1/20 | 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 SCHEMBL8942491 | 0.98 | CYP1A2 (0.43) | CYP1A2SLC22A1DNM1SLC22A2 | |
| SCHEMBL7548892 | 0.98 | CYP1A2 (0.41) | CYP1A2SLC22A1DNM1SLC22A2 | |
| SCHEMBL7549210 | 0.95 | CYP1A2 (0.39) | CYP1A2SLC22A1DNM1SLC22A2 | |
| SCHEMBL7549208 | 0.95 | CYP1A2 (0.39) | CYP1A2SLC22A1DNM1SLC22A2 | |
| SCHEMBL6061498 | 0.95 | CYP1A2 (0.44) | CYP1A2SLC22A1DNM1SLC22A2 | |
| Fluoride Ion SCHEMBL7553479 | 0.95 | CYP1A2 (0.39) | CYP1A2SLC22A1DNM1SLC22A2 | |
| Fluoride Ion SCHEMBL7550563 | 0.93 | CYP1A2 (0.43) | CYP1A2SLC22A1DNM1SLC22A2 | |
| Bromide SCHEMBL7781769 | 0.93 | CYP1A2 (0.43) | CYP1A2SLC22A1DNM1SLC22A2 | |
| Hydrochloric Acid SCHEMBL7780858 | 0.93 | CYP1A2 (0.43) | CYP1A2SLC22A1DNM1SLC22A2 | |
| Water SCHEMBL28857224 | 0.88 | DNM1 (0.39) | CYP1A2SLC22A1DNM1SLC22A2APAF1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | claimed |
| EP-0667366-B1 | Process for the production of aromatic polycarbonate | TEIJIN LTD (JP) | 2002-06-26 | — | — | EP | disclosed |
| US-5516878-A | CATALYTIC ESTER INTERCHANGE USING AN ALKALI METAL SALT OF AN ATE-COMPLEX OF A METAL SELECTED FROM SILICON, GERMANIUM, TIN, OR LEAD | TEIJIN LIMITED (JP) | 1996-05-14 | — | — | US | disclosed |
| EP-0667366-A2 | Process for the production of aromatic polycarbonate | TEIJIN LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |