Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31361280 | 0.92 | CACNA2D1 (0.51) | CACNA2D1CHRM4CCNE2CCNE1CDK2 | |
| SCHEMBL31361254 | 0.78 | PDE5A (0.46) | CACNA2D1CHRM4CCNE2CCNE1CDK2 | |
| SCHEMBL25273214 | 0.75 | CDK1 (0.46) | CHRM4CCNE2CCNE1CDK2CDK1 | |
| SCHEMBL30446331 | 0.75 | CDK1 (0.46) | CHRM4CCNE2CCNE1CDK2CDK1 | |
| SCHEMBL31361300 | 0.72 | CACNA2D1 (0.48) | CACNA2D1CCNE2CCNE1CDK2EGFR | |
| SCHEMBL19407673 | 0.64 | VNN1 (0.56) | CCNE2CCNE1CDK2CDK1VNN1 | |
| SCHEMBL1585434 | 0.64 | TP53 (0.55) | CDK1EGFRPOLBNR2F2THRB | |
| SCHEMBL30133420 | 0.64 | CLK4 (0.50) | CCNE2CCNE1CDK2CDK1VNN1 | |
| SCHEMBL27082684 | 0.64 | CLK4 (0.50) | CCNE2CCNE1CDK2CDK1VNN1 | |
| SCHEMBL30566199 | 0.64 | CDK1 (0.46) | CHRM4CCNE2CCNE1CDK2CDK1 |
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-119161346-A | Pyrrolo-ring compound and application thereof in medicine | 康百达（四川）生物医药科技有限公司 | 2024-12-20 | — | — | CN | disclosed |