Known targets — ChEMBL curated mechanism
PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Edetol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 1/20 | 0.62 |
| ▸ | NOS2 | P35228 | 5/20 | 0.43 |
| ▸ | NOS1 | P29475 | 4/20 | 0.43 |
| ▸ | NOS3 | P29474 | 3/20 | 0.43 |
| ▸ | ARG2 | P78540 | 4/20 | 0.41 |
| ▸ | ARG1 | P05089 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20993880 | 0.89 | GSR (0.48) | GSRNOS2NOS1NOS3ARG2 | |
| SCHEMBL17381816 | 0.89 | GSR (0.48) | GSRNOS2NOS1NOS3ARG2 | |
| Lysine SCHEMBL4667086 | 0.83 | GSR (0.83) | GSRNOS2NOS1NOS3ARG2 | |
| Lysine SCHEMBL4667085 | 0.83 | GSR (0.83) | GSRNOS2NOS1NOS3ARG2 | |
| Lysine SCHEMBL7706799 | 0.81 | GSR (0.80) | GSRNOS2NOS1NOS3ARG2 | |
| Lysine SCHEMBL7706094 | 0.81 | GSR (0.80) | GSRNOS2NOS1NOS3ARG2 | |
| Lysine SCHEMBL30531666 | 0.81 | GSR (0.80) | GSRNOS2NOS1NOS3ARG2 | |
| Lysine SCHEMBL30585523 | 0.81 | GSR (0.80) | GSRNOS2NOS1NOS3ARG2 | |
| Lysine SCHEMBL28216242 | 0.81 | GSR (0.95) | GSRNOS2NOS1NOS3ARG2 | |
| Lysine SCHEMBL1822762 | 0.79 | GSR (0.83) | GSRNOS2NOS1NOS3ARG2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5420118-A | Gel type cosmetic compositions | RICHARDSON-VICKS INC. (US) | 1995-05-30 | — | — | US | disclosed |
| US-5380528-A | Silicone containing skin care compositions having improved oil control | RICHARDSON-VICKS INC. (US) | 1995-01-10 | — | — | US | disclosed |
| US-5306485-A | Octocrylene, titanium dioxide and sunscreen compound | RICHARDSON-VICKS INC. (US) | 1994-04-26 | — | — | US | disclosed |
| US-5073371-A | Cationic surfactant, acrylic acid polymer, humectant | RICHARDSON-VICKS, INC. (US) | 1991-12-17 | — | — | US | disclosed |
| US-5073372-A | Comprising a cationic surfactant, a nonvolatile polysiloxane, a carboxy-containing polymer, a humectant and carrier; fat-free; anionic surfactant-free; acne | RICHARDSON-VICKS, INC. (US) | 1991-12-17 | — | — | US | disclosed |