Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.49 |
| ▸ | MYC | P01106 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | 0.91 | ABCG2 (0.46) | ABCG2MYCGABRA1GABRG2GABRB3 | |
| SCHEMBL22080788 | 0.91 | ABCG2 (0.46) | ABCG2MYCGABRA1GABRG2GABRB3 | |
| SCHEMBL22080447 | 0.91 | ALDH1A3 (0.43) | ABCG2MYCGABRA1GABRG2GABRB3 | |
| SCHEMBL22080452 | 0.86 | ABCG2 (0.44) | ABCG2MYCGABRA1GABRG2GABRB3 | |
| SCHEMBL25872182 | 0.84 | ABCG2 (0.61) | ABCG2MYCGABRA1GABRG2GABRB3 | |
| SCHEMBL24638645 | 0.84 | ABCG2 (0.44) | ABCG2MYCGABRA1GABRG2GABRB3 | |
| SCHEMBL22080733 | 0.84 | MAPT (0.44) | ADORA1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL22080805 | 0.84 | MAPT (0.44) | ADORA1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL25872183 | 0.82 | ABCG2 (0.56) | ABCG2MYCGABRA1GABRG2GABRB3 | |
| SCHEMBL22080981 | 0.81 | CYP1A2 (0.47) | ABCG2ALDH1A3ADORA1MEN1KMT2A |
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 |