Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | DRD3 | P35462 | 4/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | TRPC6 | Q9Y210 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL22852283 | 1.00 | SPHK1 (0.43) | SPHK1IRAK4TNKSCYP3A4CYP2C9 | |
| SCHEMBL22852349 | 1.00 | SPHK1 (0.43) | SPHK1IRAK4TNKSCYP3A4CYP2C9 | |
| SCHEMBL1355472 | 0.86 | TNKS (0.47) | TNKSDRD2DRD3NOS3NOS2 | |
| SCHEMBL22851855 | 0.80 | SPHK1 (0.53) | SPHK1IRAK4CYP3A4CYP2C9KCNH2 | |
| SCHEMBL22852291 | 0.80 | SPHK1 (0.53) | SPHK1IRAK4CYP3A4CYP2C9KCNH2 | |
| SCHEMBL15718047 | 0.78 | KDM4E (0.47) | TNKSDRD2DRD3NOS3NOS2 | |
| SCHEMBL22583349 | 0.78 | KDM4E (0.51) | TNKSDRD2DRD3NOS3NOS2 | |
| SCHEMBL16679523 | 0.77 | TNKS (0.40) | TNKSDRD2DRD3NOS3NOS2 | |
| SCHEMBL15924745 | 0.77 | KDM4E (0.54) | TNKSDRD2DRD3NOS3NOS2 | |
| SCHEMBL18291349 | 0.76 | CYP4F2 (0.43) | IRAK4CYP3A4CYP2C9KCNH2HRH3 |
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-3992193-A1 | PYRAZOLOPYRIMIDINE COMPOUND, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2022-05-04 | — | — | EP | disclosed |