Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4938505 | 0.81 | DYRK1A (0.54) | ADORA1ADORA2ADYRK1A | |
| SCHEMBL1389085 | 0.76 | DHFR (0.59) | ADORA1ADORA2AXDHDYRK1AKCNH2 | |
| SCHEMBL29655604 | 0.76 | DHFR (0.59) | ADORA1ADORA2AXDHDYRK1AKCNH2 | |
| SCHEMBL30046490 | 0.76 | KDM4E (0.54) | ADORA1ADORA2AXDHDYRK1AKCNH2 | |
| SCHEMBL17555726 | 0.75 | FYN (0.49) | CCNT1CDK9 | |
| SCHEMBL30681801 | 0.74 | GRM5 (0.49) | ADORA1ADORA2AXDHDYRK1AKCNH2 | |
| SCHEMBL399198 | 0.74 | ADORA1 (0.53) | ADORA1ADORA2AXDHDYRK1AKCNH2 | |
| SCHEMBL8103598 | 0.73 | DYRK1A (0.61) | XDHDYRK1AKCNH2SCN10ANPY5R | |
| SCHEMBL12100759 | 0.73 | MAP4K4 (0.46) | ADORA2A | |
| SCHEMBL12127278 | 0.73 | NUDT1 (0.60) | DYRK1ANPY5RCCNT1CDK9 |
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-2012146667-A1 | IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS | ALMIRALL, S.A. (ES) | 2012-11-01 | — | — | WO | disclosed |