Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7420873 | 0.82 | HPGD (0.62) | ALDH1A1KMT2AHPGDCYP3A4PDE4D | |
| SCHEMBL8830863 | 0.81 | PGR (0.54) | ALDH1A1HPGDHTR7APLNRCYP3A4 | |
| SCHEMBL8175740 | 0.77 | KMT2A (0.58) | ALDH1A1KMT2AHPGDPDE4DPDE4A | |
| SCHEMBL8686945 | 0.77 | PDE4A (0.58) | ALDH1A1KMT2AHPGDKDM4EGLA | |
| SCHEMBL8175742 | 0.76 | HPGD (0.45) | ALDH1A1KMT2AHPGDHTR7KDM4E | |
| SCHEMBL7467503 | 0.75 | C5AR1 (0.49) | ALDH1A1KMT2AHPGDKDM4EGAA | |
| SCHEMBL2330664 | 0.73 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECYP3A4PDE4D | |
| SCHEMBL7293414 | 0.73 | NPC1 (0.52) | ALDH1A1HPGDKDM4ECYP3A4PGR | |
| SCHEMBL1546589 | 0.72 | HPGD (0.58) | ALDH1A1HPGDKDM4ECYP3A4PDE4D | |
| SCHEMBL4760053 | 0.71 | CYP3A4 (0.71) | ALDH1A1KMT2AHPGDCYP3A4LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944630-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Darwin Discovery Limited (GB) | 1999-09-29 | — | — | EP | disclosed |
| US-5919789-A | Xanthines and their therapeutic use | DARWIN DISCOVERY LIMITED (GB) | 1999-07-06 | — | — | US | disclosed |
| WO-1998022464-A1 | XANTHINES AND THEIR THERAPEUTIC USE | DARWIN DISCOVERY LIMITED (GB) | 1998-05-28 | — | — | WO | disclosed |