Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.52 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.52 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.47 |
| ▸ | PDE1A | P54750 | 1/20 | 0.47 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.47 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7760152 | 0.88 | SIRT1 (0.59) | SIRT1SIRT3SIRT5ADORA1ADORA2B | |
| SCHEMBL7760135 | 0.85 | ADORA3 (0.47) | SIRT1SIRT3SIRT5ADORA3ADORA1 | |
| SCHEMBL7758378 | 0.83 | SIRT1 (0.56) | SIRT1SIRT3SIRT5ADORA3ADORA1 | |
| SCHEMBL7759764 | 0.81 | SIRT1 (0.59) | SIRT1SIRT3SIRT5ADORA3ADORA1 | |
| SCHEMBL7759770 | 0.81 | SIRT1 (0.59) | SIRT1SIRT3SIRT5ADORA3ADORA1 | |
| SCHEMBL7760180 | 0.80 | PDE2A (0.49) | SIRT1SIRT3SIRT5ADORA3ADORA1 | |
| SCHEMBL7758390 | 0.79 | PDE4A (0.59) | SIRT1SIRT3SIRT5ADORA3ADORA1 | |
| SCHEMBL8577873 | 0.78 | ADORA1 (0.77) | ADORA3ADORA1ADORA2BADORA2AMEN1 | |
| SCHEMBL7759043 | 0.77 | ADORA1 (0.53) | SIRT1SIRT3SIRT5ADORA1ADORA2B | |
| SCHEMBL7761671 | 0.77 | PDE2A (0.53) | SIRT1SIRT3SIRT5ADORA1ADORA2B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | claimed |
| EP-1084123-A1 | NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2001-03-21 | — | — | EP | disclosed |
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | disclosed |
| WO-1999054331-A1 | NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-28 | — | — | WO | disclosed |