Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 8/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.59 |
| ▸ | THPO | P40225 | 1/20 | 0.59 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.59 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL10804248 | 0.89 | ADORA2B (0.70) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL10803945 | 0.88 | ADORA2B (0.64) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL10806138 | 0.83 | ADORA2B (0.81) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL10807027 | 0.82 | ADORA2B (0.79) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL10810163 | 0.82 | ADORA2B (0.71) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| Potassium Ion SCHEMBL10807030 | 0.81 | ADORA2B (0.81) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL14129146 | 0.77 | ADORA2B (0.94) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL1321894 | 0.75 | ADORA2B (1.00) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL10803201 | 0.74 | ADORA2B (0.69) | ADORA2BADORA2AKDM4EALDH1A1HPGD | |
| SCHEMBL1321892 | 0.73 | ADORA2B (1.00) | ADORA2BADORA2AKDM4EALDH1A1HPGD |
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-4452788-A | BRONCHODILATORS | WARNER-LAMBERT COMPANY (US) | 1984-06-05 | — | — | US | claimed |
| EP-0092398-A1 | Substituted 8-phenylxanthines | WARNER-LAMBERT COMPANY (US) | 1983-10-26 | — | — | EP | claimed |
| EP-0092398-B1 | SUBSTITUTED 8-PHENYLXANTHINES | WARNER-LAMBERT COMPANY (US) | 1987-03-25 | — | — | EP | disclosed |
| US-4452788-A | BRONCHODILATORS | WARNER-LAMBERT COMPANY (US) | 1984-06-05 | — | — | US | disclosed |
| EP-0092398-A1 | Substituted 8-phenylxanthines | WARNER-LAMBERT COMPANY (US) | 1983-10-26 | — | — | EP | disclosed |