Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22815471 | 1.00 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22815310 | 1.00 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22815369 | 0.93 | SLC6A2 (0.31) | ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22815469 | 0.93 | SLC6A2 (0.31) | ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL22815473 | 0.88 | HSD11B1 (0.30) | HSD11B1 | |
| SCHEMBL22815799 | 0.87 | CHRNA1 (0.30) | SLC6A2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL22815808 | 0.87 | PLA2G2A (0.31) | ALDH1A1MAPTSLC6A2CHRNA1CHRNG | |
| SCHEMBL22815374 | 0.86 | SIGMAR1 (0.33) | KDM4EHSD11B1 | |
| SCHEMBL22815803 | 0.86 | CHRNA1 (0.32) | SLC6A2CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL21699392 | 0.80 | SLC6A2 (0.36) | ALDH1A1L3MBTL1MAPTTDP1SLC6A2 |
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-2020253445-A1 | ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 陕西莱特光电材料股份有限公司 | 2020-12-24 | — | — | WO | disclosed |