Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | PRNP | P04156 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL22440531 | 0.85 | KMT2A (0.42) | ALDH1A1CCNE2CCNE1CDK2PIK3CD | |
| SCHEMBL28615837 | 0.79 | NOTUM (0.48) | SLC22A12ALDH1A1PRNPRXFP1CDC25B | |
| SCHEMBL28937038 | 0.73 | ALDH1A1 (0.43) | SLC22A12ALDH1A1PRNPRXFP1CDC25B | |
| SCHEMBL1694708 | 0.69 | KDM4E (0.44) | ALDH1A1CCNE2CCNE1CDK2PIK3CD | |
| SCHEMBL29705507 | 0.69 | KDM4E (0.44) | ALDH1A1CCNE2CCNE1CDK2PIK3CD | |
| SCHEMBL7919 | 0.69 | SLC22A12 (0.56) | SLC22A12ALDH1A1PRNPRXFP1CDC25B | |
| SCHEMBL28408913 | 0.69 | ALDH1A1 (0.47) | SLC22A12ALDH1A1PRNPRXFP1CDC25B | |
| SCHEMBL28922385 | 0.69 | NOTUM (0.50) | SLC22A12ALDH1A1PRNPRXFP1CDC25B | |
| SCHEMBL28447462 | 0.66 | ALDH1A1 (0.41) | SLC22A12ALDH1A1PRNPRXFP1CDC25B | |
| SCHEMBL1694892 | 0.65 | RET (0.46) | CCNE2CCNE1CDK2PIK3CDPIK3CA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111566104-B | Spiro aromatic ring compound and application thereof | 上海奕拓医药科技有限责任公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-111592525-B | Spiro aromatic ring compound and application thereof | 上海奕拓医药科技有限责任公司 | 2020-12-08 | — | — | CN | disclosed |
| CN-111592525-A | Spiro aromatic ring compound and application thereof | 上海奕拓医药科技有限责任公司 | 2020-08-28 | — | — | CN | disclosed |
| CN-111566104-A | Spiro aromatic ring compound and application thereof | 上海奕拓医药科技有限责任公司 | 2020-08-21 | — | — | CN | disclosed |