Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | BRD4 | O60885 | 10/20 | 0.41 |
| ▸ | ATAD2 | Q6PL18 | 8/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22198963 | 0.83 | CYP19A1 (0.55) | NQO2CYP19A1BRD4CNR2KDM4E | |
| SCHEMBL22185224 | 0.82 | ALDH1A1 (0.44) | CNR2KDM4EALDH1A1 | |
| SCHEMBL22198968 | 0.81 | NQO2 (0.43) | NQO2CYP19A1BRD4ATAD2CNR2 | |
| SCHEMBL22184879 | 0.81 | EIF4A3 (0.45) | NQO2CYP19A1CNR2KDM4EALDH1A1 | |
| SCHEMBL25310064 | 0.78 | BRD4 (0.42) | BRD4ATAD2 | |
| SCHEMBL30482258 | 0.78 | BRD4 (0.42) | BRD4ATAD2 | |
| SCHEMBL5771632 | 0.76 | GRIN2D (0.38) | NQO2CYP19A1CNR2GRIN2DGRIN3B | |
| SCHEMBL25262124 | 0.74 | PARP1 (0.44) | BRD4ATAD2KDM4EALDH1A1 | |
| SCHEMBL25310402 | 0.74 | PARP1 (0.49) | BRD4ATAD2KDM4EALDH1A1 | |
| SCHEMBL25376520 | 0.74 | BRD4 (0.41) | BRD4ATAD2KDM4EALDH1A1 |
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-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |