Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6440789 | 0.87 | ALDH1A1 (0.49) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL6442358 | 0.83 | ADORA1 (0.63) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL6447691 | 0.81 | ADORA1 (0.62) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL6443082 | 0.80 | CYP1A2 (0.55) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL6441963 | 0.79 | ADORA1 (0.62) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL5040175 | 0.79 | ADORA2A (0.51) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL6443228 | 0.75 | ALDH1A1 (0.57) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL6259513 | 0.74 | ALDH1A1 (0.49) | ADORA1ALDH1A1KDM4EHPGDMEN1 | |
| SCHEMBL6443028 | 0.74 | ADORA1 (0.60) | ADORA1ADORA2AADORA2BALDH1A1KDM4E | |
| SCHEMBL6441685 | 0.73 | ADORA1 (0.56) | ADORA1ADORA2AADORA2BALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1261327-B1 | ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | EP | disclosed |
| EP-1501807-A1 | SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS | Elan Pharmaceuticals, Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093245-A1 | SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS | ELAN PHARMACEUTICALS, INC. (US) | 2003-11-13 | — | — | WO | disclosed |