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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3850922 | 0.97 | TSHR (0.44) | TSHRSLC22A1TDP1HSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11582879 | 0.94 | TSHR (0.42) | TSHRSLC22A1TDP1HSD17B10ALDH1A1 | |
| SCHEMBL8500577 | 0.80 | SLC22A1 (0.43) | TSHRSLC22A1TDP1HSD17B10ALDH1A1 | |
| Water SCHEMBL17222518 | 0.79 | SLC22A1 (0.48) | TSHRSLC22A1HSD17B10ALDH1A1 | |
| Bromide SCHEMBL3028711 | 0.78 | SLC22A1 (0.41) | TSHRSLC22A1HSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8500446 | 0.78 | SLC22A1 (0.41) | TSHRSLC22A1HSD17B10 | |
| Water SCHEMBL11566007 | 0.77 | TSHR (0.42) | TSHRSLC22A1TDP1HSD17B10ALDH1A1 | |
| Water SCHEMBL11241617 | 0.77 | TSHR (0.42) | TSHRSLC22A1TDP1HSD17B10ALDH1A1 | |
| Water SCHEMBL11564722 | 0.75 | TSHR (0.39) | TSHRTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4603559 | 0.74 | DNM1 (0.48) | TSHRSLC22A1HSD17B10ALDH1A1 |
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-4159964-A | Metal chelate catalyst and alkanolamine hydroxide on adsorptive support | UOP INC. (US) | 1979-07-03 | — | — | US | disclosed |
| US-4127474-A | Treating a petroleum distillate with an alkanolamine hydroxide and a supported oxidation catalyst impregnated with polynuclear aromatic sulfonic acid | UOP INC. (US) | 1978-11-28 | — | — | US | disclosed |
| US-4124494-A | Treating a petroleum distillate with a supported metal phthalocyanine and an alkanolamine hydroxide | UOP INC. (US) | 1978-11-07 | — | — | US | disclosed |