Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16395974 | 0.85 | ALDH1A1 (0.44) | KDM4EALDH1A1CCNCCDK8HPGD | |
| SCHEMBL31215720 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CCNCCDK8HPGDCLK1 | |
| SCHEMBL16396309 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CCNCCDK8HPGDCLK1 | |
| SCHEMBL25216820 | 0.79 | ALDH1A1 (0.46) | KDM4EALDH1A1CCNCCDK8HPGD | |
| SCHEMBL13133309 | 0.77 | ESR2 (0.44) | ALDH1A1HPGDL3MBTL1CLK1NPC1 | |
| SCHEMBL30597783 | 0.77 | ALDH1A1 (0.47) | KDM4EALDH1A1CCNCCDK8HPGD | |
| SCHEMBL20168500 | 0.77 | ALDH1A1 (0.47) | KDM4EALDH1A1CCNCCDK8HPGD | |
| SCHEMBL16395962 | 0.76 | MEN1 (0.46) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL25238575 | 0.76 | MAPT (0.43) | KDM4EALDH1A1CCNCCDK8HPGD | |
| SCHEMBL4614384 | 0.75 | MEN1 (0.55) | ALDH1A1CCNCCDK8HPGDCLK1 |
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-117683042-A | Fused tetracyclic compound, preparation method thereof and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2024-03-12 | — | — | CN | disclosed |