Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3158603 | 0.80 | CYP1A2 (0.50) | CYP1A2CYP2A6AKR1C3AKR1C2ESR1 | |
| SCHEMBL12835528 | 0.80 | LMNA (0.43) | CYP1A2CYP2A6NPC1ALDH1A1TP53 | |
| SCHEMBL3166607 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP2A6AKR1C3AKR1C2HRH3 | |
| SCHEMBL3157962 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP2A6AKR1C3AKR1C2HRH3 | |
| SCHEMBL3173709 | 0.79 | CYP1A2 (0.48) | CYP1A2CYP2A6AKR1C3AKR1C2ESR1 | |
| SCHEMBL6058974 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2A6AKR1C3AKR1C2ESR1 | |
| SCHEMBL3259283 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2A6AKR1C3AKR1C2ESR1 | |
| SCHEMBL3159151 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2A6AKR1C3AKR1C2ESR1 | |
| SCHEMBL3164859 | 0.78 | CYP1A2 (0.52) | CYP1A2CYP2A6AKR1C3AKR1C2ESR1 | |
| SCHEMBL23312096 | 0.78 | ESR1 (0.45) | CYP1A2CYP2A6ESR1ESR2ALDH1A1 |
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-2023134228-A1 | NITROGEN-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME, AND ELECTRONIC APPARATUS | 陕西莱特光电材料股份有限公司 | 2023-07-20 | — | — | WO | disclosed |