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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | FABP3 | P05413 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | CDC25A | P30304 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.35 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12795706 | 0.87 | SMN1; SMN2 (0.42) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL10337116 | 0.86 | SMN1; SMN2 (0.43) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL13491273 | 0.82 | SMN1; SMN2 (0.50) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL25857265 | 0.82 | SMN1; SMN2 (0.46) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL13619257 | 0.81 | FABP3 (0.40) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL2696626 | 0.81 | FABP3 (0.40) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL18719364 | 0.80 | SMN1; SMN2 (0.47) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL2694156 | 0.80 | FABP3 (0.39) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL6130069 | 0.80 | FABP3 (0.39) | SMN1; SMN2FABP3LMNAADRA1AAKT1 | |
| SCHEMBL28733155 | 0.78 | FABP3 (0.43) | SMN1; SMN2FABP3LMNAADRA1AAKT1 |
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-5591882-A | Process for preparing organophosphates useful for increasing the ocular haemo- and biocompatibility of synthetic polymers | BIOCOMPATIBLES LIMITED (GB) | 1997-01-07 | — | — | US | disclosed |
| US-5422402-A | Surface treatment (of an acrylic, polypropylene, polyethylene, polyurethane, polysaccharide, or cellulosic material) with quaternary ammonium phosphate inner salt having a reactive functional group; contact lenses; blood filtration | BIOCOMPATIBLES LIMITED (GB) | 1995-06-06 | — | — | US | disclosed |
| EP-0518959-A1 | METHOD OF IMPROVING THE OCULAR HAEMO AND BIOCOMPATIBILITY OF SYNTHETIC POLYMERS. | BIOCOMPATIBLES LTD (GB) | 1992-12-23 | — | — | EP | disclosed |
| WO-1991013639-A1 | METHOD OF IMPROVING THE OCULAR HAEMO AND BIOCOMPATIBILITY OF SYNTHETIC POLYMERS | BIOCOMPATIBLES LIMITED (GB) | 1991-09-19 | — | — | WO | disclosed |