Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL923680 | 0.88 | PDE4D (0.43) | ALDH1A1MEN1POLBHPGDKMT2A | |
| SCHEMBL28371304 | 0.85 | SYK (0.45) | ALDH1A1MEN1POLBHPGDKMT2A | |
| SCHEMBL23442879 | 0.81 | PDE4B (0.46) | ALDH1A1HPGDPDE4BTSHRAOX1 | |
| SCHEMBL18519471 | 0.81 | KMO (0.46) | ALDH1A1HPGDPDE4BTSHRAOX1 | |
| SCHEMBL28372189 | 0.80 | KDM4E (0.47) | ALDH1A1MEN1POLBHPGDKMT2A | |
| SCHEMBL25190677 | 0.80 | ALDH1A1 (0.62) | ALDH1A1HPGDPDE4BSMN1; SMN2TSHR | |
| SCHEMBL30287170 | 0.80 | ALDH1A1 (0.62) | ALDH1A1HPGDPDE4BSMN1; SMN2TSHR | |
| SCHEMBL28434926 | 0.78 | SCN9A (0.39) | ALDH1A1MEN1POLBHPGDKMT2A | |
| SCHEMBL227445 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MEN1POLBHPGDKMT2A | |
| SCHEMBL13717529 | 0.76 | FPR2 (0.41) | AKR1A1AKR1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110981876-B | 8-substituted styrylxanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-110981876-A | 8-substituted styrylxanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2020-04-10 | — | — | CN | disclosed |