Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 4/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.33 |
| ▸ | PDE1A | P54750 | 2/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.32 |
| ▸ | MC3R | P41968 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22071869 | 0.65 | ADORA3 (0.36) | CCNE1CDK2PDE4APDE4BPDE4C | |
| SCHEMBL12799838 | 0.65 | DDB1 (0.41) | ADORA2BADORA1ALDH1A1 | |
| SCHEMBL8345010 | 0.63 | ALDH1A1 (0.35) | PDE4DPDE1APDE1BPDE1CHSD17B10 | |
| SCHEMBL8345008 | 0.63 | AAK1 (0.35) | HPGDALDH1A1MAPT | |
| SCHEMBL20780218 | 0.63 | — | — | |
| SCHEMBL13936549 | 0.62 | ADORA3 (0.41) | CCNE1CDK2PDE4APDE4BPDE4C | |
| SCHEMBL7481984 | 0.61 | PDE4A (0.36) | CCNE1CDK2PDE4APDE4BPDE4C | |
| SCHEMBL21912931 | 0.61 | — | — | |
| SCHEMBL22071854 | 0.58 | ADORA3 (0.33) | ADORA3 | |
| SCHEMBL22072415 | 0.58 | ADORA3 (0.33) | ADORA3 |
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-2011114184-A1 | AMIDES OF HETEROCYCLIC COMPOUNDS AS TRPA1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-09-22 | — | — | WO | disclosed |