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 | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 4/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CHRNA10 | Q9GZZ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL28601326 | 0.84 | CHRM5 (0.39) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL20531615 | 0.77 | CHRM5 (0.42) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL8452747 | 0.76 | ACHE (0.36) | LMNACYP2C19ADRA1A | |
| Hydrochloric Acid SCHEMBL10688589 | 0.76 | CHRM5 (0.35) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL23617698 | 0.71 | CHRM5 (0.38) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL14739988 | 0.71 | CHRM5 (0.38) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL3840265 | 0.70 | LMNA (0.39) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL27733421 | 0.70 | CHRM5 (0.37) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL28286379 | 0.70 | ACHE (0.37) | CHRM5CHRM1CHRM3CHRM2CHRM4 | |
| SCHEMBL28464604 | 0.69 | CHRM5 (0.43) | CHRM5CHRM1CHRM3CHRM2CHRM4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0556216-A1 | PHOSPHORIC ACID ESTERS AND THEIR USE IN THE PREPARATION OF BIOCOMPATIBLE SURFACES. | BIOCOMPATIBLES LTD (GB) | 1993-08-25 | — | — | EP | claimed |
| WO-1992007858-A1 | PHOSPHORIC ACID ESTERS AND THEIR USE IN THE PREPARATION OF BIOCOMPATIBLE SURFACES | BIOCOMPATIBLES LIMITED (GB) | 1992-05-14 | — | — | WO | claimed |