Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18870394 | 0.84 | MEN1 (0.47) | PARP1KDM4EALDH1A1HPGDNPSR1 | |
| SCHEMBL4058506 | 0.82 | ADORA3 (0.59) | ADORA3ADORA2AADORA1PARP1KDM4E | |
| SCHEMBL18832291 | 0.81 | KDM4E (0.51) | KDM4EALDH1A1HPGDNPSR1CCNE2 | |
| SCHEMBL30677327 | 0.71 | XDH (0.54) | ALDH1A1CCNE2CCNE1CDK2PTGS1 | |
| SCHEMBL15600397 | 0.70 | KDM4E (0.38) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL31625100 | 0.70 | KDM4E (0.38) | KDM4EALDH1A1HPGDLMNAHTT | |
| SCHEMBL5506725 | 0.70 | ADORA2A (0.70) | ADORA3ADORA2AADORA1PARP1 | |
| SCHEMBL28295499 | 0.70 | DPP4 (0.50) | ADORA3ADORA1PARP1KDM4EALDH1A1 | |
| SCHEMBL30677266 | 0.69 | CYP1A2 (0.52) | ALDH1A1GAASMN1; SMN2MAPTTSHR | |
| SCHEMBL23444495 | 0.68 | MEN1 (0.50) | ADORA3ADORA2AADORA1PARP1KDM4E |
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-109651370-A | A kind of purine analog derivative free radical precursor molecule and preparation method thereof | 桂林理工大学 | 2019-04-19 | — | — | CN | disclosed |