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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL1454426 | 0.96 | HIF1A (0.50) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Bromide SCHEMBL667642 | 0.89 | HIF1A (0.47) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Hydrochloric Acid SCHEMBL8583704 | 0.89 | HIF1A (0.47) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Iodide SCHEMBL8876694 | 0.86 | HIF1A (0.47) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Bromide SCHEMBL510812 | 0.77 | HIF1A (0.43) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Iodide SCHEMBL5158487 | 0.77 | HIF1A (0.43) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Iodide SCHEMBL11784544 | 0.75 | HIF1A (0.42) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Bromide SCHEMBL7331525 | 0.71 | HIF1A (0.42) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Iodide SCHEMBL15399851 | 0.71 | HIF1A (0.56) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 | |
| Bromide SCHEMBL4637900 | 0.70 | HIF1A (0.40) | HIF1ACYP1A2CYP2C19ALDH1A1CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0673959-B1 | Process for producing aromatic polycarbonate | MITSUBISHI CHEM CORP (JP) | 1998-10-28 | — | — | EP | claimed |
| US-5527875-A | Process for producing aromatic polycarbonate | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-06-18 | — | — | US | claimed |
| EP-0673959-A1 | Process for producing aromatic polycarbonate | Mitsubishi Chemical Corporation (JP) | 1995-09-27 | — | — | EP | claimed |
| EP-0673959-B1 | Process for producing aromatic polycarbonate | MITSUBISHI CHEM CORP (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5527875-A | Process for producing aromatic polycarbonate | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-06-18 | — | — | US | disclosed |
| EP-0673959-A1 | Process for producing aromatic polycarbonate | Mitsubishi Chemical Corporation (JP) | 1995-09-27 | — | — | EP | disclosed |