Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 3/20 | 0.45 |
| ▸ | WNT3A | P56704 | 3/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 3/20 | 0.36 |
| ▸ | ACLY | P53396 | 1/20 | 0.34 |
| ▸ | CFTR | P13569 | 3/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21899377 | 1.00 | CTNNB1 (0.45) | CTNNB1WNT3AMRGPRX4KITBRAF | |
| SCHEMBL21965336 | 0.90 | CTNNB1 (0.42) | CTNNB1WNT3AMRGPRX4KITBRAF | |
| SCHEMBL30776135 | 0.90 | CTNNB1 (0.42) | CTNNB1WNT3AMRGPRX4KITBRAF | |
| SCHEMBL21965723 | 0.90 | CTNNB1 (0.42) | CTNNB1WNT3AMRGPRX4KITBRAF | |
| SCHEMBL21899368 | 0.88 | CTNNB1 (0.40) | CTNNB1WNT3AMRGPRX4KITBRAF | |
| SCHEMBL21965340 | 0.79 | HTT (0.42) | CTNNB1WNT3AKITBRAFSMYD3 | |
| SCHEMBL1805191 | 0.78 | OPRM1 (0.48) | ACLYKDM4E | |
| SCHEMBL1804980 | 0.78 | KDM4E (0.45) | ACLYKDM4EALDH1A1 | |
| SCHEMBL1802624 | 0.77 | ACLY (0.43) | ACLYKDM4EALDH1A1 | |
| SCHEMBL21965335 | 0.77 | HTT (0.36) | CTNNB1WNT3AKITBRAFSMYD3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115872901-B | Imine compound and application thereof | 沈阳中化农药化工研发有限公司 | 2024-11-12 | — | — | CN | disclosed |
| CN-115872901-A | Imine compound and application thereof | 沈阳中化农药化工研发有限公司 | 2023-03-31 | — | — | CN | disclosed |