Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.35 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 4/20 | 0.34 |
| ▸ | CDK2 | P24941 | 4/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.34 |
| ▸ | TGM2 | P21980 | 1/20 | 0.34 |
| ▸ | STK10 | O94804 | 1/20 | 0.34 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL30296781 | 0.81 | PARP1 (0.40) | PARP1PARP2HSD17B2ALDH1A1CCNE1 | |
| SCHEMBL3917033 | 0.76 | POLB (0.44) | PARP1ALDH1A1 | |
| SCHEMBL18863238 | 0.73 | ACHE (0.42) | PARP1PARP2CREBBPCCNE1CDK2 | |
| SCHEMBL18878104 | 0.73 | ACHE (0.42) | PARP1PARP2CREBBPCCNE1CDK2 | |
| SCHEMBL18878150 | 0.73 | ACHE (0.42) | PARP1PARP2CREBBPCCNE1CDK2 | |
| SCHEMBL11358485 | 0.69 | HSD17B10 (0.47) | PARP1PARP2HSD17B2 | |
| SCHEMBL11362107 | 0.69 | CYP1A2 (0.68) | HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL9672933 | 0.68 | ALPL (0.39) | ALPL | |
| SCHEMBL21250244 | 0.68 | HTR7 (0.45) | PARP1ALDH1A1 | |
| SCHEMBL31536404 | 0.67 | CA1 (0.47) | PARP1ALDH1A1 |
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-117916241-A | Spiro compounds | 阿斯利康(瑞典)有限公司 | 2024-04-19 | — | — | CN | disclosed |