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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.30 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | CA9 | Q16790 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11743887 | 0.80 | TSHR (0.37) | TSHRACHELMNAALOX12ALDH1A1 | |
| Bromide SCHEMBL5092862 | 0.73 | TSHR (0.37) | TSHRACHELMNAALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2468397 | 0.73 | TSHR (0.37) | TSHRACHELMNAALOX12ALDH1A1 | |
| Fluoride Ion SCHEMBL2467473 | 0.73 | TSHR (0.37) | TSHRACHELMNAALOX12ALDH1A1 | |
| Iodide SCHEMBL5091418 | 0.73 | TSHR (0.37) | TSHRACHELMNAALOX12ALDH1A1 | |
| Water SCHEMBL6847549 | 0.72 | ALDH1A1 (0.38) | TSHRACHELMNAALOX12ALDH1A1 | |
| SCHEMBL29526094 | 0.67 | ALDH1A1 (0.40) | TSHRACHELMNAALOX12ALDH1A1 | |
| SCHEMBL624283 | 0.67 | ACHE (0.35) | TSHRACHELMNAALOX12ALDH1A1 | |
| Bromide SCHEMBL2466692 | 0.65 | ALDH1A1 (0.38) | TSHRACHELMNAALOX12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL63255 | 0.65 | ALDH1A1 (0.38) | TSHRACHELMNAALOX12ALDH1A1 |
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-4003701-A | PRINTING A THIOATED FABRIC USING MICROWAVE ENERGY | SCOTT PAPER COMPANY (US) | 1977-01-18 | — | — | US | disclosed |