Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PI4KA | P42356 | 1/20 | 0.31 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.31 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.31 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30003732 | 0.79 | MAPT (0.47) | KDM4ECYP2B6CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL5902340 | 0.73 | KDM4E (0.39) | KDM4EGPR3CYP2B6CYP1A2CYP1A1 | |
| SCHEMBL30079979 | 0.71 | KDM4E (0.40) | KDM4EGPR3ERN1ALDH1A1GLA | |
| SCHEMBL28412569 | 0.71 | CYP1A2 (0.37) | CYP2B6CYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL28551604 | 0.70 | GPR3 (0.42) | KDM4EGPR3ERN1ALDH1A1GLA | |
| SCHEMBL29756136 | 0.70 | CA12 (0.47) | KDM4ECYP2B6CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL87841 | 0.70 | CA12 (0.47) | KDM4ECYP2B6CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL1041972 | 0.70 | CA12 (0.47) | KDM4ECYP2B6CYP1A2CYP1A1CYP1B1 | |
| SCHEMBL29749295 | 0.70 | GPR3 (0.42) | KDM4EGPR3ERN1ALDH1A1GLA | |
| SCHEMBL6671643 | 0.68 | CYP1A2 (0.48) | CYP2B6CYP1A2CYP1A1CYP1B1NPC1 |
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-116332948-A | Nitrogen-containing tetracyclic compound, preparation method and medicinal application thereof | 翰森生物有限责任公司 | 2023-06-27 | — | — | CN | disclosed |