Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5233098 | 0.96 | ADORA1 (0.48) | ADORA1CYP3A4CYP2C19POLBADORA2A | |
| SCHEMBL9645161 | 0.86 | ADORA2A (0.54) | ADORA1ADORA2AADORA2B | |
| SCHEMBL9645623 | 0.86 | CYP3A4 (0.45) | ADORA1CYP3A4CYP2C19POLBADORA2A | |
| SCHEMBL7420292 | 0.86 | ADORA1 (0.44) | ADORA1ADORA2AADORA2B | |
| SCHEMBL9645595 | 0.85 | PDE4A (0.42) | ADORA1CYP3A4CYP2C19ADORA2A | |
| SCHEMBL3990423 | 0.85 | ADORA1 (0.54) | ADORA1ADORA2AADORA2B | |
| SCHEMBL9706689 | 0.84 | PDE4A (0.46) | CYP3A4CYP2C19ADORA2AADORA2B | |
| SCHEMBL9645577 | 0.82 | ADORA2A (0.55) | ADORA1ADORA2AADORA2B | |
| SCHEMBL9646588 | 0.82 | CYP3A4 (0.41) | ADORA1CYP3A4CYP2C19POLB | |
| SCHEMBL4780088 | 0.80 | ADORA1 (0.73) | ADORA1ADORA2AADORA2B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4925847-A | BRONCHODILATORS | EUROCELTIQUE, S.A. (LU) | 1990-05-15 | — | — | US | claimed |
| EP-0256692-B1 | 6-THIOXANTHINES | Euroceltique S.A. (LU) | 1992-09-16 | — | — | EP | disclosed |
| US-5010081-A | Bronchodilator agents | EUROCELTIQUE, S.A. (LU) | 1991-04-23 | — | — | US | disclosed |
| US-4925847-A | BRONCHODILATORS | EUROCELTIQUE, S.A. (LU) | 1990-05-15 | — | — | US | disclosed |
| EP-0256692-A2 | 6-Thioxanthines | Euroceltique S.A. (LU) | 1988-02-24 | — | — | EP | disclosed |