Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL22563078 | 0.97 | PTGER4 (0.35) | ARTRPA1SMYD2CYP11B1CYP11B2 | |
| SCHEMBL22563444 | 0.91 | AR (0.36) | ARTRPA1SMYD2CYP11B1CYP11B2 | |
| SCHEMBL21108787 | 0.90 | TRPA1 (0.40) | TRPA1ALDH1A1CYP1A2CYP3A4CLK4 | |
| SCHEMBL22563372 | 0.89 | ABCG2 (0.34) | ARTRPA1SMYD2CYP11B1CYP11B2 | |
| SCHEMBL20150344 | 0.88 | CYP11B1 (0.37) | ARTRPA1SMYD2CYP11B1CYP11B2 | |
| SCHEMBL21108010 | 0.88 | CHEK1 (0.37) | CHEK1CLK4PDE10APTGER4MEN1 | |
| SCHEMBL19943154 | 0.88 | TRPA1 (0.38) | TRPA1ALDH1A1CYP1A2CYP3A4CLK4 | |
| SCHEMBL25658931 | 0.88 | AR (0.40) | ARTRPA1SMYD2CYP11B1CYP11B2 | |
| SCHEMBL19942583 | 0.87 | CHEK1 (0.35) | CYP11B2CHEK1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19942584 | 0.87 | PTGER4 (0.37) | CHEK1ALDH1A1CYP1A2CYP3A4CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3507285-B1 | ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |