Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 2/20 | 0.32 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.32 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5970283 | 0.84 | MEN1 (0.41) | ALDH1A1KDM4EGPR55KMT2AMEN1 | |
| SCHEMBL5971079 | 0.81 | ATM (0.50) | ALDH1A1RAB9AGAAMAPTMAPK1 | |
| SCHEMBL5970240 | 0.81 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2GAAXDH | |
| SCHEMBL5970042 | 0.78 | ABL1 (0.43) | ALDH1A1KDM4ENPC1SMN1; SMN2RAB9A | |
| SCHEMBL5970233 | 0.78 | ALDH1A1 (0.45) | ALDH1A1XDHHCAR1 | |
| SCHEMBL5970318 | 0.76 | HCAR3 (0.41) | ALDH1A1XDHHCAR1KMT2AMEN1 | |
| SCHEMBL5970479 | 0.70 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9AGAAXDH | |
| SCHEMBL158477 | 0.68 | ALDH1A1 (0.73) | ALDH1A1KDM4ESMN1; SMN2RAB9AXDH | |
| SCHEMBL5970230 | 0.67 | ADORA2B (0.48) | ALDH1A1TLR7NPC1RAB9AGAA | |
| SCHEMBL5970424 | 0.67 | ADORA2B (0.40) | ALDH1A1KDM4ETLR7FLT3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1658291-A2 | SUBSTITUTED 8-HETEROARYL XANTHINES | Adenosine Therapeutics, LLC (US) | 2006-05-24 | — | — | EP | disclosed |
| WO-2005021548-A2 | SUBSTITUTED 8-HETEROARYL XANTHINES | ADENOSINE THERAPEUTICS, LLC (US) | 2005-03-10 | — | — | WO | disclosed |