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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SLC22A16 | Q86VW1 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.32 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.32 |
| ▸ | CPT2 | P23786 | 1/20 | 0.31 |
| ▸ | CPT1A | P50416 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL9819526 | 0.97 | — | — | |
| SCHEMBL35947 | 0.97 | — | — | |
| SCHEMBL6667882 | 0.97 | — | — | |
| Bromide SCHEMBL8408095 | 0.94 | LMNA (0.47) | LMNAALDH1A1MAPTSLC22A16THRB | |
| Iodide SCHEMBL4083174 | 0.94 | LMNA (0.47) | LMNAALDH1A1MAPTSLC22A16THRB | |
| Hydrochloric Acid SCHEMBL9819532 | 0.94 | MAPT (0.50) | LMNAALDH1A1MAPTSLC22A16THRB | |
| Hydrochloric Acid SCHEMBL35525 | 0.94 | MAPT (0.50) | LMNAALDH1A1MAPTSLC22A16THRB | |
| Ammonia Solution, Strong SCHEMBL27633517 | 0.91 | MAPT (0.48) | LMNAALDH1A1MAPTSLC22A16THRB | |
| Ethylene Glycol SCHEMBL3142993 | 0.88 | MAPT (0.46) | LMNAALDH1A1MAPTSLC22A16THRB | |
| SCHEMBL28282530 | 0.88 | LMNA (0.42) | LMNAALDH1A1MAPTSLC22A16THRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7572379-B2 | Removal of metal ions from onium hydroxides and onium salt solutions | SACHEM, INC. (US) | 2009-08-11 | — | — | US | disclosed |
| US-20070051627-A1 | Removal of metal ions from onium hydroxides and onium salt solutions | SACHEM, INC. | 2007-03-08 | — | — | US | disclosed |
| US-4028307-A | CONTINUOUS PROCESS, POLYETHYLENE TEREPHTHALATE | FIBER INDUSTRIES, INC. (US) | 1977-06-07 | — | — | US | disclosed |