Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 4/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | CNOT7 | Q9UIV1 | 7/20 | 0.45 |
| ▸ | PARN | O95453 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11078954 | 0.86 | ADORA2B (0.48) | ADORA2BADORA3CNOT7PARNPDE4A | |
| SCHEMBL5174205 | 0.85 | ADORA2B (0.51) | ADORA2BADORA3CNOT7PDE4AADORA2A | |
| SCHEMBL5171921 | 0.85 | ADORA2B (0.41) | ADORA2BADORA3CNOT7PARNPDE4A | |
| SCHEMBL14619429 | 0.84 | ALDH1A1 (0.59) | ADORA2BADORA3CNOT7PARNPDE4A | |
| SCHEMBL7519416 | 0.77 | PDE4A (0.56) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL7154157 | 0.77 | ADORA2B (0.49) | ADORA2BADORA3PDE4AADORA2APDE4B | |
| SCHEMBL843472 | 0.76 | GDA (0.53) | ADORA2BADORA3CNOT7PARNPDE4A | |
| SCHEMBL10812168 | 0.74 | PDE4A (0.53) | ADORA2BADORA3CNOT7PARNPDE4A | |
| SCHEMBL3737350 | 0.73 | ADORA2B (0.71) | ADORA2BPDE4AADORA2APDE4BPDE4C | |
| SCHEMBL12212177 | 0.72 | ADORA2B (0.42) | ADORA2BADORA3PDE4AADORA2APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| US-5314890-A | Treatment of asthma | MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) | 1994-05-24 | — | — | US | disclosed |
| EP-0531349-A1 | 1-7 SUBSTITUTED XANTHINE DERIVATIVES HAVING ANTIASTHMATIC ACTIVITY, THEIR SALTS PHYSIOLOGICALLY ACCEPTABLE, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) | 1993-03-17 | — | — | EP | disclosed |
| WO-1991017993-A1 | 1-7 SUBSTITUTED XANTHINE DERIVATIVES HAVING ANTIASTHMATIC ACTIVITY, THEIR SALTS PHYSIOLOGICALLY ACCEPTABLE, PHARMACEUTICAL COMPOSITION CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A (IT) | 1991-11-28 | — | — | WO | disclosed |