Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12962514 | 0.72 | CYP3A4 (0.35) | CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL23255225 | 0.63 | GAA (0.33) | CYP1A2ADORA2BPDE4AADORA2APDE4B | |
| SCHEMBL19505553 | 0.62 | — | — | |
| SCHEMBL836795 | 0.62 | ALDH1A1 (0.49) | USP2KMT2ASMN1; SMN2TDP1 | |
| SCHEMBL19090464 | 0.62 | P2RX3 (0.36) | CYP3A4CYP1A2KMT2ASMN1; SMN2 | |
| SCHEMBL4106167 | 0.60 | CYP3A4 (0.76) | CYP3A4CYP1A2CYP2D6ADORA2BPDE4A | |
| SCHEMBL13753310 | 0.60 | F2 (0.42) | SMN1; SMN2 | |
| SCHEMBL9246057 | 0.60 | CYP3A4 (0.76) | CYP3A4CYP1A2CYP2D6ADORA2BPDE4A | |
| SCHEMBL5718940 | 0.59 | USP2 (0.72) | CYP3A4CYP1A2ADORA2BUSP2SMN1; SMN2 | |
| SCHEMBL16076197 | 0.59 | CYP1A2 (0.55) | CYP3A4CYP1A2ADORA2BPDE4AADORA2A |
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-2007017262-A1 | XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-02-15 | — | — | WO | disclosed |