Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IL2 | P60568 | 1/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 3/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.36 |
| ▸ | TTK | P33981 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.35 |
| ▸ | PDE4A | P27815 | 4/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5044211 | 0.76 | HTT (0.44) | IL2MAP4K1CCR5PDE4DPDE4A | |
| SCHEMBL4574092 | 0.74 | HTR6 (0.50) | CCR5PDE4DPDE4APDE4BPDE4C | |
| SCHEMBL4766178 | 0.74 | TUBB4A (0.50) | IL2MAP4K1NTRK1CSF1RNTRK2 | |
| SCHEMBL4574250 | 0.71 | HTT (0.48) | IL2MAP4K1NTRK1CSF1RNTRK2 | |
| SCHEMBL4574438 | 0.71 | IL2 (0.45) | IL2MAP4K1NTRK1CSF1RNTRK2 | |
| SCHEMBL3314819 | 0.71 | ALDH1A1 (0.46) | IL2MAP4K1TTKPDE4DPDE4A | |
| SCHEMBL31063362 | 0.71 | KDM1A (0.54) | IL2MAP4K1NTRK1CSF1RNTRK2 | |
| SCHEMBL12856197 | 0.69 | QDPR (0.44) | IL2MAP4K1PDE4DPDE4APDE4B | |
| SCHEMBL4769042 | 0.69 | KDM1A (0.47) | IL2MAP4K1PDE4DPDE4APDE4B | |
| SCHEMBL31525337 | 0.69 | CA2 (0.49) | IL2MAP4K1PDE4DPDE4APDE4B |
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-2004103367-A1 | BENZOTHIAZOLE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF DISEASES RELATES TO THE ADENOSINE A2A RECEPTOR | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-02 | — | — | WO | disclosed |