Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.35 |
| ▸ | MAP2K6 | P52564 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.35 |
| ▸ | NEK10 | Q6ZWH5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL29006025 | 1.00 | GPR3 (0.46) | GPR3ERN1MEN1KMT2ALMNA | |
| SCHEMBL548221 | 0.76 | PADI4 (0.47) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL2009244 | 0.69 | GPR3 (0.44) | GPR3ERN1MEN1KMT2ALMNA | |
| SCHEMBL197337 | 0.68 | ERN1 (0.62) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL1869260 | 0.68 | GPR3 (0.54) | GPR3MEN1KMT2ALMNATHRB | |
| SCHEMBL31663413 | 0.68 | ERN1 (0.62) | ERN1MEN1KMT2ALMNATHRB | |
| SCHEMBL29786760 | 0.67 | KMT2A (0.61) | MEN1KMT2ALMNATHRBBLM | |
| SCHEMBL982388 | 0.67 | KMT2A (0.61) | MEN1KMT2ALMNATHRBBLM | |
| SCHEMBL3042274 | 0.67 | ERN1 (0.61) | GPR3ERN1KMT2ALMNATDP1 | |
| SCHEMBL548457 | 0.67 | TDP1 (0.50) | ERN1MEN1KMT2ALMNATHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023093686-A1 | BENZO[C]CINNOLINE SKELETON DIIMIDE LIGAND AND PREPARATION METHOD THEREFOR | 中国科学院上海有机化学研究所 | 2023-06-01 | — | — | WO | disclosed |
| CN-116162065-A | Benzo [ c ] cinnoline framework diimine ligand and preparation method thereof | 中国科学院上海有机化学研究所 | 2023-05-26 | — | — | CN | disclosed |