Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | NR3C1 | P04150 | 9/20 | 0.51 |
| ▸ | CNR2 | P34972 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22188466 | 0.91 | NR3C1 (0.56) | NR3C1PGRNR3C2ARCYP2C19 | |
| SCHEMBL5406221 | 0.87 | TSHR (0.66) | TSHRNR3C1CNR2CYP2C19S1PR1 | |
| Bicarbonate SCHEMBL22188468 | 0.85 | NR3C1 (0.55) | TSHRNR3C1PGRNR3C2AR | |
| SCHEMBL11734487 | 0.83 | TSHR (0.56) | TSHRNR3C1CNR2PGRNR3C2 | |
| Oxalic Acid SCHEMBL22188502 | 0.83 | NR3C1 (0.54) | TSHRNR3C1PGRNR3C2AR | |
| Oxalic Acid SCHEMBL29049217 | 0.83 | NR3C1 (0.54) | TSHRNR3C1PGRNR3C2AR | |
| SCHEMBL4300630 | 0.83 | TRPA1 (0.39) | TSHRNR3C1MAPK1MEN1KMT2A | |
| SCHEMBL11068811 | 0.81 | TSHR (0.68) | TSHRCNR2CYP2C19NR1H2NR1H3 | |
| Hydrochloric Acid SCHEMBL10630985 | 0.81 | ALDH1A1 (0.38) | TSHRNR3C1MAPK1MEN1KMT2A | |
| Malonic Acid SCHEMBL22188496 | 0.81 | NR3C1 (0.55) | NR3C1PGRNR3C2ARTRPM8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2252672-A2 | COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT | Essilor International (Compagnie Générale D'Optique) (FR) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009115721-A2 | COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT | ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) | 2009-09-24 | — | — | WO | disclosed |