Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1C | Q14123 | 7/20 | 0.35 |
| ▸ | PDE1A | P54750 | 6/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 6/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.32 |
| ▸ | PDE6A | P16499 | 1/20 | 0.32 |
| ▸ | PDE6B | P35913 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 4/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27660999 | 0.76 | ALDH1A1 (0.40) | MEN1KMT2APDE4DPDE4AADORA2A | |
| SCHEMBL4036563 | 0.76 | PDE1B (0.35) | PDE1CPDE1APDE1BTDP1 | |
| SCHEMBL4031313 | 0.71 | PDE1B (0.35) | PDE1CPDE1APDE1BADORA2AADORA2B | |
| SCHEMBL27493137 | 0.70 | ADORA2A (0.36) | PDE1CPDE1APDE1BADORA2ATDP1 | |
| SCHEMBL650017 | 0.70 | TSHR (0.56) | PDE4BTDP1L3MBTL1ADORA2B | |
| SCHEMBL4034699 | 0.69 | CDK2 (0.36) | — | |
| SCHEMBL21435153 | 0.66 | KEAP1 (0.32) | — | |
| SCHEMBL9454065 | 0.65 | — | — | |
| SCHEMBL14557025 | 0.64 | KMT2A (0.35) | PDE1CPDE1APDE1BMEN1KMT2A | |
| SCHEMBL7398877 | 0.64 | AGTR1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1930144-A | 3-'4-heterocyclyl -1,2,3,-triazol-1-yl!-n-aryl-benzamides as inhibitors of the cytokines production for the treatment of chronic inflammatory diseases | BOEHRINGER INGELHEIM PHARMA (US) | 2007-03-14 | — | — | CN | disclosed |