Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C5AR1 | P21730 | 11/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GNRHR | P30968 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
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 | 0.79 | HPGD (0.62) | C5AR1ALDH1A1ATMKMT2AHPGD | |
| SCHEMBL7423882 | 0.75 | L3MBTL1 (0.51) | ALDH1A1KDM4EKMT2AGNRHRHPGD | |
| SCHEMBL7437276 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAKMT2AHPGD | |
| SCHEMBL7417859 | 0.75 | PDE4A (0.69) | C5AR1KMT2A | |
| SCHEMBL8175740 | 0.74 | KMT2A (0.58) | ALDH1A1KMT2AHPGD | |
| SCHEMBL8686945 | 0.74 | PDE4A (0.58) | ALDH1A1NPSR1KDM4EKMT2AHPGD | |
| SCHEMBL8175742 | 0.74 | HPGD (0.45) | ALDH1A1KDM4EGAAATMKMT2A | |
| SCHEMBL8182761 | 0.70 | KMT2A (0.43) | P2RX7ALDH1A1KDM4EKMT2AGNRHR | |
| SCHEMBL17931795 | 0.70 | L3MBTL1 (0.51) | C5AR1P2RX7TDP1ALDH1A1KDM4E | |
| SCHEMBL8176354 | 0.67 | KMT2A (0.42) | ALDH1A1KDM4EGAAKMT2AGNRHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6124288-A | Xanthines and their therapeutic use | DARWIN DISCOVERY, LTD. (GB) | 2000-09-26 | — | — | 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 |