Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30460661 | 0.78 | ADORA2A (0.45) | ATRADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL14001968 | 0.73 | PDPK1 (0.46) | MAPTATRADORA1ADORA3PDPK1 | |
| SCHEMBL30155116 | 0.72 | TGFBR1 (0.38) | ALDH1A1CYP1A2CYP2C19MEN1CYP3A4 | |
| SCHEMBL14438007 | 0.69 | CYP2A6 (0.31) | ADORA1ADORA2A | |
| SCHEMBL29816494 | 0.69 | KDM4E (0.48) | MAPTADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL1268508 | 0.69 | KDM4E (0.48) | MAPTADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL9877773 | 0.69 | AXL (0.38) | MAPTADORA1ADORA2AMEN1KMT2A | |
| SCHEMBL29559945 | 0.69 | DYRK1A (0.39) | ATRADORA1ADORA2AALDH1A1CSNK1A1 | |
| SCHEMBL28657632 | 0.68 | KDM4E (0.47) | MAPTADORA1GABRA1GABRG2GABRB3 | |
| SCHEMBL10988176 | 0.67 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C19KDM4ECYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111362986-B | Thieno [2,3-d ] pyridazine cyclometalated iridium complex and preparation method thereof | 安徽工业大学 | 2023-04-07 | — | — | CN | disclosed |