Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | NOS1 | P29475 | 4/20 | 0.43 |
| ▸ | NOS3 | P29474 | 3/20 | 0.43 |
| ▸ | NOS2 | P35228 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | OGT | O15294 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 8/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL18329421 | 1.00 | MCL1 (0.49) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL5544216 | 0.82 | MCL1 (0.47) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL19617706 | 0.82 | MCL1 (0.51) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL9384780 | 0.81 | NOS1 (0.49) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL16176728 | 0.81 | MCL1 (0.46) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL32674515 | 0.81 | MCL1 (0.46) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL32674503 | 0.81 | MCL1 (0.46) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL5544210 | 0.81 | MCL1 (0.46) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL16189296 | 0.81 | MCL1 (0.46) | MCL1NOS1NOS3NOS2LMNA | |
| SCHEMBL3043379 | 0.80 | MCL1 (0.49) | MCL1OGTGRM5EPHX2DAO |
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-111205292-B | Imidazodinitrogen compound | 安斯泰来制药有限公司 | 2022-06-21 | — | — | CN | disclosed |