Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 14/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 4/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22080813 | 0.97 | ABCG2 (0.46) | ABCG2ABCB1ABCC1MYCGABRA1 | |
| SCHEMBL22080452 | 0.95 | ABCG2 (0.44) | ABCG2ABCB1ABCC1MYCGABRA1 | |
| SCHEMBL22080732 | 0.91 | ABCG2 (0.49) | ABCG2ABCB1ABCC1MYCGABRA1 | |
| SCHEMBL24638645 | 0.90 | ABCG2 (0.44) | ABCG2ABCB1ABCC1MYCGABRA1 | |
| SCHEMBL22080981 | 0.87 | CYP1A2 (0.47) | ABCG2ADORA2AADORA1ALDH1A3PGR | |
| SCHEMBL22080472 | 0.86 | CYP1A2 (0.46) | ABCG2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL22080463 | 0.86 | CYP1A2 (0.48) | ABCG2ADORA2AADORA1ALDH1A3PGR | |
| SCHEMBL27275261 | 0.85 | ABCG2 (0.44) | ABCG2ABCB1ABCC1MYCGABRA1 | |
| SCHEMBL22080725 | 0.84 | MEN1 (0.43) | ADORA2AADORA1 | |
| SCHEMBL31463137 | 0.83 | ABCG2 (0.52) | ABCG2ABCB1ABCC1MYCGABRA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020116875-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 두산솔루스 주식회사 | 2020-06-11 | — | — | WO | disclosed |