Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 8/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PNP | P00491 | 1/20 | 0.37 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL7416426 | 0.82 | HPGD (0.49) | MAPK1ALDH1A1TDP1KDM4EPNP | |
| SCHEMBL7423403 | 0.74 | KMT2A (0.48) | ALDH1A1KDM4EPNP | |
| SCHEMBL7417864 | 0.71 | HCAR1 (0.42) | P2RX7C5AR1ALDH1A1TDP1KDM4E | |
| SCHEMBL7604062 | 0.67 | PNP (0.53) | MAPK1KDM4EPNP | |
| SCHEMBL7417859 | 0.66 | PDE4A (0.69) | C5AR1 | |
| SCHEMBL7467503 | 0.64 | C5AR1 (0.49) | P2RX7C5AR1ALDH1A1TDP1KDM4E | |
| SCHEMBL7421519 | 0.63 | PNP (0.49) | MAPK1PNPCNR1 | |
| SCHEMBL17931795 | 0.63 | L3MBTL1 (0.51) | P2RX7C5AR1ALDH1A1TDP1KDM4E | |
| SCHEMBL16053109 | 0.63 | ALDH1A1 (0.68) | MAPK1ALDH1A1TDP1GAA | |
| SCHEMBL27501339 | 0.62 | BRD4 (0.58) | KDM4ENPSR1PNP |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5821366-A | Xanthines and their therapeutic use | CHIROSCIENCE LIMITED (GB) | 1998-10-13 | — | — | US | claimed |
| EP-0825993-A1 | XANTHINES AND THEIR THERAPEUTIC USE | Chiroscience Limited (GB) | 1998-03-04 | — | — | EP | claimed |
| WO-1996036638-A1 | XANTHINES AND THEIR THERAPEUTIC USE | CHIROSCIENCE LIMITED (GB) | 1996-11-21 | — | — | WO | claimed |
| 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 |