Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 5/20 | 0.60 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.58 |
| ▸ | KIF11 | P52732 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.41 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3310122 | 0.86 | BRD4 (0.47) | CYP11B2CYP11B1CYP1A2ATAD2KIF11 | |
| SCHEMBL3307667 | 0.84 | KIF11 (0.45) | CYP11B2CYP11B1CYP1A2ATAD2KIF11 | |
| SCHEMBL3309660 | 0.84 | KIF11 (0.45) | CYP11B2CYP11B1CYP1A2ATAD2KIF11 | |
| SCHEMBL3306413 | 0.83 | KIF11 (0.44) | CYP11B2CYP11B1CYP1A2ATAD2KIF11 | |
| SCHEMBL13330272 | 0.83 | HSP90AA1 (0.53) | CYP11B2CYP11B1CYP1A2HDAC6HDAC1 | |
| SCHEMBL3306832 | 0.82 | MET (0.47) | CYP11B2CYP11B1CYP1A2ATAD2KIF11 | |
| SCHEMBL3310395 | 0.82 | KIF11 (0.43) | CYP11B2CYP11B1CYP1A2ATAD2KIF11 | |
| SCHEMBL3315684 | 0.82 | HDAC6 (0.44) | CYP11B2CYP11B1CYP1A2ATAD2KIF11 | |
| SCHEMBL4596531 | 0.82 | GRIN1 (0.46) | CYP11B2CYP11B1CYP1A2ATAD2KIF11 | |
| SCHEMBL4892413 | 0.82 | CYP11B1 (0.58) | CYP11B2CYP11B1CYP1A2KIF11HRH3 |
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-2010074807-A1 | 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS | GILEAD PALO ALTO, INC. (US) | 2010-07-01 | — | — | WO | disclosed |