Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.32 |
| ▸ | MYC | P01106 | 1/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22544968 | 0.89 | ABCG2 (0.42) | ABCG2ABCB1ABCC1MYCHRH4 | |
| SCHEMBL23020475 | 0.86 | CYP1A2 (0.34) | ABCG2ABCB1CYP1A2CYP3A4MEN1 | |
| SCHEMBL25023752 | 0.84 | CYP1A2 (0.38) | ABCG2ABCB1CYP1A2CYP3A4MEN1 | |
| SCHEMBL25779652 | 0.83 | ABCG2 (0.46) | ABCG2ABCB1CYP1A2CYP3A4MEN1 | |
| SCHEMBL23863431 | 0.82 | GRM5 (0.37) | ABCG2ABCB1CYP1A2CYP3A4MEN1 | |
| SCHEMBL25774840 | 0.82 | ADORA2A (0.32) | MEN1KMT2AHSD17B10MAPK1 | |
| SCHEMBL26360520 | 0.82 | MEN1 (0.33) | CYP1A2MEN1ALDH1A1KMT2ALMNA | |
| SCHEMBL23616596 | 0.81 | PTPN5 (0.36) | CLK4MYCCYP19A1SLC6A2SLC6A4 | |
| SCHEMBL27456903 | 0.81 | L3MBTL1 (0.40) | CYP1A2CYP3A4MEN1ALDH1A1KMT2A | |
| SCHEMBL23020265 | 0.81 | — | — |
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-4206195-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | Lg Chem, Ltd. (KR) | 2023-07-05 | — | — | EP | disclosed |