Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 6/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043745 | 0.83 | KMT2A (0.46) | ADORA2AARHPGDTSHRHSD17B10 | |
| SCHEMBL7416425 | 0.82 | PNP (0.47) | ADORA2AHPGDTSHRKDM4EMAPT | |
| SCHEMBL8422905 | 0.78 | KMT2A (0.42) | ADORA2AHPGDTSHRHSD17B10KDM4E | |
| SCHEMBL7422829 | 0.77 | PNP (0.49) | ADORA2AHPGDTSHRKDM4EMAPT | |
| SCHEMBL7423402 | 0.74 | KMT2A (0.46) | HCAR1ARHPGDKDM4EMAPT | |
| SCHEMBL28043741 | 0.73 | KMT2A (0.50) | TSHRHSD17B10KDM4EMAPTMEN1 | |
| SCHEMBL7417865 | 0.71 | YTHDC1 (0.44) | KDM4EP2RX7C5AR1ALDH1A1TDP1 | |
| SCHEMBL22093395 | 0.69 | MAT2A (0.47) | HCAR1KDM4EMAPTMEN1LMNA | |
| SCHEMBL7604058 | 0.68 | PNP (0.51) | ADORA2ATSHRMAPTPDE9AKMT2A | |
| SCHEMBL28043739 | 0.68 | ALDH1A1 (0.54) | HPGDTSHRHSD17B10KDM4EMAPT |
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 |