Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | PRNP | P04156 | 2/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | FGB | P02675 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22440562 | 0.86 | GSTP1 (0.41) | ALDH1A1HSD17B10KDM4EMAPTPRNP | |
| SCHEMBL24388764 | 0.71 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL27138365 | 0.70 | KDM4E (0.40) | ALDH1A1KDM4EMAPTNPSR1THRB | |
| SCHEMBL28408913 | 0.68 | ALDH1A1 (0.47) | ALDH1A1SLC22A12HSD17B10TP53KDM4E | |
| SCHEMBL28615837 | 0.67 | NOTUM (0.48) | ALDH1A1SLC22A12KDM4ECDC25BPRNP | |
| SCHEMBL28937038 | 0.67 | ALDH1A1 (0.43) | ALDH1A1SLC22A12HSD17B10KDM4ECDC25B | |
| SCHEMBL24469604 | 0.66 | PARP1 (0.42) | KDM4E | |
| SCHEMBL29187790 | 0.66 | HPGD (0.42) | ALDH1A1SLC22A12KDM4EMAPTNPSR1 | |
| SCHEMBL28453832 | 0.66 | SLC22A12 (0.44) | ALDH1A1SLC22A12KDM4ECDC25BMAPT | |
| SCHEMBL25477279 | 0.65 | ALDH1A1 (0.42) | ALDH1A1HSD17B10KDM4EMAPTTSHR |
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 |