Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 11/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9708757 | 0.92 | ADORA3 (0.41) | ADORA3ADORA1ADORA2BADORA2A | |
| SCHEMBL9707680 | 0.91 | ADORA3 (0.43) | ADORA3ADORA1ADORA2BADORA2AKDM4E | |
| SCHEMBL9707906 | 0.88 | AGTR1 (0.38) | ADORA3ADORA1ADORA2AKMT2A | |
| SCHEMBL9707425 | 0.86 | ADORA3 (0.41) | ADORA3ADORA1ADORA2BADORA2A | |
| SCHEMBL9707898 | 0.85 | MAPT (0.38) | ADORA3ADORA1KMT2A | |
| SCHEMBL9708047 | 0.84 | USP1 (0.39) | ADORA3KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL9707739 | 0.84 | ADORA3 (0.47) | ADORA3ADORA1ADORA2BADORA2A | |
| SCHEMBL9707519 | 0.84 | ADORA3 (0.39) | ADORA3ADORA1ADORA2BADORA2AKMT2A | |
| SCHEMBL9708310 | 0.84 | RAB9A (0.42) | ADORA3ADORA1ADORA2BADORA2AMEN1 | |
| SCHEMBL9708591 | 0.84 | ADORA1 (0.40) | ADORA3ADORA1ADORA2BADORA2AKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |