Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 5/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20912063 | 0.83 | TGFBR1 (0.41) | KEAP1ADORA2AKMT2AJMJD6PIK3CD | |
| SCHEMBL19480882 | 0.77 | CYP2A6 (0.46) | KEAP1ADORA2AKMT2AJMJD6PIK3CD | |
| SCHEMBL25742607 | 0.77 | KEAP1 (0.47) | KEAP1ADORA2AKMT2AJMJD6PIK3CD | |
| SCHEMBL3152508 | 0.75 | CCR1 (0.56) | ADORA2AKMT2ANOS3NOS1NOS2 | |
| SCHEMBL30211937 | 0.72 | KEAP1 (0.46) | KEAP1ADORA2AKMT2AJMJD6PIK3CD | |
| SCHEMBL20912065 | 0.72 | KMT2A (0.40) | KEAP1KMT2AJMJD6MAPK10KDM5B | |
| SCHEMBL20265217 | 0.72 | ADORA2A (0.51) | KEAP1ADORA2AKMT2AJMJD6PIK3CD | |
| SCHEMBL22230356 | 0.69 | KEAP1 (0.50) | KEAP1ADORA2AKMT2AJMJD6PIK3CD | |
| SCHEMBL42126 | 0.69 | CCR1 (0.64) | KEAP1KMT2AJMJD6NOS3NOS2 | |
| SCHEMBL16035670 | 0.69 | KEAP1 (0.46) | KEAP1ADORA2AKMT2AJMJD6PIK3CD |
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-2017178344-A1 | NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |