Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 2/20 | 0.32 |
| ▸ | CCR8 | P51685 | 2/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 2/20 | 0.32 |
| ▸ | F12 | P00748 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27242764 | 1.00 | CYP2A6 (0.39) | CYP2A6ALDH1A1HPGDKDM4EDYRK1A | |
| SCHEMBL5478954 | 0.68 | CYP1A2 (0.48) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL32665271 | 0.68 | CYP1A2 (0.48) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL21917740 | 0.65 | KDM4E (0.40) | ALDH1A1HPGDKDM4EDYRK1AL3MBTL1 | |
| SCHEMBL24732486 | 0.65 | L3MBTL1 (0.48) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL10313361 | 0.64 | ALKBH5 (0.55) | CYP2A6ALDH1A1KDM4EL3MBTL1TSHR | |
| SCHEMBL21917534 | 0.62 | PDE2A (0.40) | CYP2A6ALDH1A1HPGDKDM4EL3MBTL1 | |
| SCHEMBL21803649 | 0.62 | PSMD14 (0.42) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL22489848 | 0.62 | CYP2A6 (0.48) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL30022648 | 0.62 | CYP1A2 (0.44) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 |
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-118184707-A | Organic electroluminescent material and device | 环球展览公司 | 2024-06-14 | — | — | CN | disclosed |