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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9011006 | 0.98 | CHRM1 (0.35) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Sulfuric Acid SCHEMBL28789324 | 0.93 | CHRM1 (0.32) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL25362469 | 0.91 | CHRM1 (0.31) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Sulfuric Acid SCHEMBL15065301 | 0.91 | CHRM1 (0.31) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Trifluoromethanesulfonic Acid SCHEMBL25360346 | 0.89 | — | — | |
| Water SCHEMBL4146453 | 0.85 | — | — | |
| SCHEMBL1980407 | 0.82 | — | — | |
| Phosphoric Acid SCHEMBL28367097 | 0.76 | — | — | |
| SCHEMBL25360569 | 0.76 | — | — | |
| SCHEMBL10640381 | 0.76 | CHRM1 (0.33) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000041773-A1 | ZWITTER-ION AND IONENE GOLF BALL FORMING COMPOSITIONS AND METHODS | ACUSHNET COMPANY (US) | 2000-07-20 | — | — | WO | disclosed |