Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 7/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 7/20 | 0.52 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 3/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | GCKR | Q14397 | 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 | |
|---|---|---|---|---|
| SCHEMBL20153226 | 0.81 | CHRNB2 (0.56) | CHRNB2CHRNA4MAP3K12BRAFPARP1 | |
| SCHEMBL2723382 | 0.75 | CHRNB2 (0.56) | CHRNB2CHRNA4MAP3K12MTOR | |
| SCHEMBL16872560 | 0.75 | CHRNB2 (0.56) | CHRNB2CHRNA4MAP3K12MTOR | |
| SCHEMBL29514977 | 0.74 | CHRNB4 (0.38) | MAP3K12BRAFPARP1PARP2 | |
| SCHEMBL8012152 | 0.74 | DRD3 (0.40) | MAP3K12BRAFDRD2DRD3DRD4 | |
| SCHEMBL24374898 | 0.74 | CHRNB2 (0.51) | CHRNB2CHRNA4MAP3K12MTOR | |
| SCHEMBL22650414 | 0.73 | CHRNB2 (0.41) | CHRNB2CHRNA4DRD2DRD3DRD4 | |
| SCHEMBL2060744 | 0.72 | MAP3K12 (0.39) | CHRNB2CHRNA4MAP3K12BRAFDRD3 | |
| SCHEMBL7237247 | 0.71 | DRD3 (0.39) | MAP3K12BRAFDRD2DRD3DRD4 | |
| SCHEMBL28055261 | 0.70 | DRD2 (0.42) | CHRNB2CHRNA4DRD2DRD3DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |