Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | PDE4A | P27815 | 1/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8175742 | 0.85 | HPGD (0.45) | HPGDCYP3A4PDE4APDE4BPDE4C | |
| SCHEMBL7437276 | 0.82 | ALDH1A1 (0.47) | HPGDCYP3A4PDE4APDE4BPDE4C | |
| SCHEMBL8830850 | 0.81 | HPGD (0.66) | HPGDCYP3A4PDE4APDE4BPDE4C | |
| SCHEMBL8686945 | 0.81 | PDE4A (0.58) | HPGDCYP3A4PDE4APDE4BPDE4C | |
| SCHEMBL8175740 | 0.81 | KMT2A (0.58) | HPGDPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7467503 | 0.79 | C5AR1 (0.49) | HPGDATMKMT2AALDH1A1C5AR1 | |
| SCHEMBL1031237 | 0.78 | HPGD (0.73) | HPGDCYP3A4ATMKMT2AMEN1 | |
| SCHEMBL8168462 | 0.77 | HPGD (0.59) | HPGDCYP3A4PDE4APDE4BPDE4C | |
| SCHEMBL8177138 | 0.76 | HPGD (0.58) | HPGDCYP3A4PDE4APDE4BPDE4C | |
| SCHEMBL7471780 | 0.76 | HPGD (0.58) | HPGDCYP3A4PDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| US-6124288-A | Xanthines and their therapeutic use | DARWIN DISCOVERY, LTD. (GB) | 2000-09-26 | — | — | US | disclosed |
| US-5821366-A | Xanthines and their therapeutic use | CHIROSCIENCE LIMITED (GB) | 1998-10-13 | — | — | US | disclosed |
| EP-0825993-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Chiroscience Limited (GB) | 1998-03-04 | — | — | EP | disclosed |
| WO-1996036638-A1 | XANTHINES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | disclosed |