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 | |
|---|---|---|---|---|
| ▸ | SCN1A | P35498 | 2/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5200492 | 0.98 | SCN1A (0.35) | SCN1ASCN2ASCN3ASLC6A3PBRM1 | |
| Hydrochloric Acid SCHEMBL2869444 | 0.97 | SCN1A (0.34) | SCN1ASCN2ASCN3ASLC6A3PBRM1 | |
| SCHEMBL37639 | 0.74 | SCN4A (0.43) | ALDH1A1 | |
| SCHEMBL9167147 | 0.74 | TSHR (0.37) | SLC6A3HTR2AHRH1MEN1KMT2A | |
| SCHEMBL3345348 | 0.74 | SLC6A2 (0.41) | SLC6A3HTR2AHRH1MEN1KMT2A | |
| SCHEMBL28128614 | 0.72 | SCN4A (0.42) | ALDH1A1 | |
| SCHEMBL1307453 | 0.71 | CHRNB2 (0.49) | HTR2AHRH1MEN1KMT2ATDP1 | |
| Water SCHEMBL6534051 | 0.70 | SIGMAR1 (0.41) | HTR2AMEN1KMT2ACNR2HTT | |
| SCHEMBL5163795 | 0.70 | MEN1 (0.32) | SCN1ASCN2ASCN3ASLC6A3HTR2A | |
| Water SCHEMBL9061772 | 0.69 | DNM1 (0.42) | SLC6A3HTR2AHRH1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20100159392-A1 | PATTERNING PROCESS AND RESIST COMPOSITION | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2010-06-24 | — | — | US | disclosed |