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 | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 5/20 | 0.62 |
| ▸ | PPARD | Q03181 | 5/20 | 0.62 |
| ▸ | PPARA | Q07869 | 5/20 | 0.62 |
| ▸ | F7 | P08709 | 5/20 | 0.62 |
| ▸ | F3 | P13726 | 5/20 | 0.62 |
| ▸ | TERT | O14746 | 3/20 | 0.62 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.62 |
| ▸ | FABP4 | P15090 | 3/20 | 0.62 |
| ▸ | TOP1 | P11387 | 3/20 | 0.62 |
| ▸ | MAPT | P10636 | 2/20 | 0.62 |
| ▸ | BLM | P54132 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.62 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.62 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.62 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.62 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.62 |
| ▸ | PTPN7 | P35236 | 2/20 | 0.62 |
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 SCHEMBL28668290 | 1.00 | PPARG (0.62) | PPARGPPARDPPARAF7F3 | |
| SCHEMBL28335883 | 0.98 | PPARG (0.64) | PPARGPPARDPPARAF7F3 | |
| Water SCHEMBL5454608 | 0.90 | GPR84 (0.54) | PPARGPPARDPPARAPTPN1HSD17B10 | |
| SCHEMBL8885078 | 0.88 | GPR84 (0.56) | PPARGPPARDPPARAPTPN1HSD17B10 | |
| SCHEMBL8883454 | 0.88 | GPR84 (0.56) | PPARGPPARDPPARAPTPN1HSD17B10 | |
| SCHEMBL8885697 | 0.88 | GPR84 (0.56) | PPARGPPARDPPARAPTPN1HSD17B10 | |
| SCHEMBL8432352 | 0.86 | FABP3 (0.70) | PPARGPPARDPPARAF7F3 | |
| SCHEMBL2905137 | 0.86 | FAAH (0.58) | PPARGPPARDPPARAF7F3 | |
| Propane SCHEMBL741627 | 0.84 | FAAH (0.57) | PPARGPPARDPPARAF7F3 | |
| Propane SCHEMBL28144123 | 0.84 | FAAH (0.57) | PPARGPPARDPPARAF7F3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113146464-A | Porous chemical mechanical polishing pad | 应用材料公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-108698206-B | Porous chemical mechanical polishing pad | 应用材料公司 | 2021-04-02 | — | — | CN | disclosed |
| US-4279891-A | AMPHOTERIC SURFACTANT AND ETHOXYLATED FATTY ALCOHOL | AMERICAN CYANAMID COMPANY (US) | 1981-07-21 | — | — | US | disclosed |