Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | EDNRB | P24530 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24125625 | 0.97 | CYP2C9 (0.37) | ABCG2NR3C1PGRCYP2C9SCN9A | |
| SCHEMBL23543381 | 0.97 | NR3C1 (0.39) | ABCG2NR3C1PGRCYP2C9SCN9A | |
| SCHEMBL20777474 | 0.95 | S1PR1 (0.34) | ABCG2NR3C1PGRCYP2C9SCN9A | |
| SCHEMBL20834747 | 0.95 | S1PR1 (0.39) | ABCG2NR3C1PGRCYP2C9SCN9A | |
| SCHEMBL20834754 | 0.94 | ABCG2 (0.37) | ABCG2NR3C1PGRCYP2C9SCN9A | |
| SCHEMBL20905065 | 0.94 | NT5E (0.40) | ABCG2NR3C1PGRCYP2C9SCN9A | |
| SCHEMBL23679085 | 0.93 | ALOX5AP (0.35) | ABCG2NR3C1PGRCYP2C9SCN9A | |
| SCHEMBL20904851 | 0.93 | NR3C1 (0.41) | ABCG2NR3C1PGRARALOX5AP | |
| SCHEMBL23543499 | 0.92 | NR3C1 (0.41) | ABCG2NR3C1PGRSCN9APPARG | |
| SCHEMBL20834492 | 0.92 | ABCG2 (0.41) | ABCG2NR3C1PGRPPARGPPARA |
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-3684884-B1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2021-06-23 | — | — | EP | disclosed |
| WO-2019053049-A1 | ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES | CYNORA GMBH (DE) | 2019-03-21 | — | — | WO | disclosed |