Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | PAK3 | O75914 | 1/20 | 0.33 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.33 |
| ▸ | PAK2 | Q13177 | 1/20 | 0.33 |
| ▸ | CD38 | P28907 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | TDO2 | P48775 | 2/20 | 0.31 |
| ▸ | KRAS | P01116 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | MELK | Q14680 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL20727230 | 0.80 | S1PR1 (0.34) | PDE7APAK3PAK1PAK2S1PR1 | |
| SCHEMBL20727201 | 0.75 | PDE4B (0.46) | PDE4BIDO1TDO2IRAK4 | |
| SCHEMBL20727224 | 0.71 | GRIN2B (0.44) | — | |
| SCHEMBL20727246 | 0.67 | PDE7A (0.41) | PDE7ACCNT1CD38PDE4B | |
| SCHEMBL25403752 | 0.65 | IRAK4 (0.43) | CCNT1CD38IRAK4 | |
| SCHEMBL30504932 | 0.65 | IRAK4 (0.43) | CCNT1CD38IRAK4 | |
| SCHEMBL25403755 | 0.65 | IRAK4 (0.43) | CCNT1CD38IRAK4 | |
| SCHEMBL20575927 | 0.64 | ERN1 (0.41) | PDE7ACCNT1CD38 | |
| SCHEMBL3436793 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL4349290 | 0.61 | PIK3CD (0.37) | PDE7ACCNT1CD38 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3441388-A1 | 4,5,6-TRI-SUBSTITUTED INDAZOLES DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2019-02-13 | — | — | EP | disclosed |