Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 8/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 8/20 | 0.38 |
| ▸ | WNT1 | P04628 | 3/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | RET | P07949 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31182012 | 0.75 | CCNC (0.47) | GSK3BDYRK1AWNT1RETCCNC | |
| SCHEMBL31181991 | 0.73 | MEN1 (0.46) | MAPK1 | |
| SCHEMBL31181982 | 0.71 | DYRK1A (0.44) | GSK3BDYRK1AWNT1KCNH2ATM | |
| SCHEMBL31182013 | 0.71 | WNT1 (0.51) | GSK3BDYRK1AWNT1RETCCNC | |
| SCHEMBL31181992 | 0.70 | WNT1 (0.46) | GSK3BDYRK1AWNT1RETCCNC | |
| SCHEMBL31181998 | 0.67 | RET (0.47) | GSK3BDYRK1AWNT1RETKCNH2 | |
| SCHEMBL4213889 | 0.62 | MKNK1 (0.44) | CCNCCDK8 | |
| SCHEMBL19724027 | 0.60 | NAAA (0.44) | KCNH2 | |
| SCHEMBL31445330 | 0.60 | CTSV (0.57) | GSK3BDYRK1AWNT1 | |
| SCHEMBL22393873 | 0.59 | CHRM1 (0.47) | — |
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-118878508-A | DC-Rhoin derivative, preparation method and application thereof | 广东省中医院（广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院） | 2024-11-01 | — | — | CN | disclosed |