Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 4/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5970054 | 0.82 | ADORA2B (0.63) | ADORA2BADORA3ADORA1ADORA2AXDH | |
| SCHEMBL5970231 | 0.79 | ADORA2B (0.56) | ADORA2BADORA3ADORA1ADORA2AXDH | |
| SCHEMBL5971456 | 0.79 | ADORA2B (0.53) | ADORA2BXDH | |
| SCHEMBL1497241 | 0.77 | ADORA2B (0.59) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL5970239 | 0.76 | ADORA2B (0.51) | ADORA2BADORA3ADORA1ADORA2AXDH | |
| SCHEMBL5970462 | 0.76 | ADORA2B (0.52) | ADORA2BADORA1ADORA2AXDHHPSE | |
| SCHEMBL1497231 | 0.76 | ADORA2B (0.69) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL5970374 | 0.76 | ADORA2B (0.48) | ADORA2BADORA3XDHKDM4ESMN1; SMN2 | |
| SCHEMBL5970527 | 0.74 | ADORA2B (0.57) | ADORA2BADORA2AXDHKDM4EMEN1 | |
| SCHEMBL5970162 | 0.74 | ADORA2B (0.49) | ADORA2BKDM4ENPC1RAB9ASMN1; SMN2 |
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 | claimed |
| WO-2005021548-A2 | SUBSTITUTED 8-HETEROARYL XANTHINES | ADENOSINE THERAPEUTICS, LLC (US) | 2005-03-10 | — | — | WO | claimed |