Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 4/20 | 0.33 |
| ▸ | NOS2 | P35228 | 4/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.31 |
| ▸ | F12 | P00748 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | NCF1 | P14598 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | PRKCI | P41743 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29526095 | 0.79 | NOS3 (0.45) | RETNOS3NOS2NOS1CYP17A1 | |
| SCHEMBL928999 | 0.79 | NOS3 (0.45) | RETNOS3NOS2NOS1CYP17A1 | |
| SCHEMBL31240930 | 0.76 | CYP17A1 (0.36) | NOS3NOS2NOS1CYP17A1F12 | |
| SCHEMBL3668400 | 0.76 | NOS2 (0.52) | RETNOS3NOS2NOS1CYP17A1 | |
| SCHEMBL29864311 | 0.76 | CYP17A1 (0.33) | CYP17A1HTR2AHTR2CHTR2BPDK2 | |
| SCHEMBL30731660 | 0.73 | KDM4E (0.41) | — | |
| SCHEMBL27039119 | 0.73 | KDM4E (0.41) | — | |
| SCHEMBL22493647 | 0.72 | USP7 (0.35) | RETNOS3NOS2NOS1F12 | |
| SCHEMBL31312603 | 0.72 | CYP17A1 (0.37) | NOS3NOS2NOS1CYP17A1HTR2C | |
| SCHEMBL28284231 | 0.72 | TDO2 (0.40) | NOS3NOS2NOS1CYP17A1HTR2A |
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-116867781-A | Imidazo [1,2-a ] pyridine derivatives as IRAK4 inhibitors and their use in the treatment of diseases | 渤健马萨诸塞州股份有限公司 | 2023-10-10 | — | — | CN | disclosed |