Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.33 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22851855 | 1.00 | SPHK1 (0.53) | SPHK1CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL5284 | 0.82 | SLC18A3 (0.50) | SPHK1CYP3A4CYP2C9SLC18A3ESR2 | |
| SCHEMBL900534 | 0.82 | SLC18A3 (0.50) | SPHK1CYP3A4CYP2C9SLC18A3ESR2 | |
| SCHEMBL1128088 | 0.82 | SLC18A3 (0.50) | SPHK1CYP3A4CYP2C9SLC18A3ESR2 | |
| SCHEMBL14001646 | 0.82 | SPHK1 (0.54) | SPHK1CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL22852292 | 0.82 | ALDH1A1 (0.38) | SPHK1CYP3A4HRH3SLC18A3ALDH1A1 | |
| SCHEMBL24385463 | 0.80 | SPHK1 (0.43) | SPHK1CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL22852349 | 0.80 | SPHK1 (0.43) | SPHK1CYP3A4CYP2C9KCNH2HRH3 | |
| SCHEMBL22852283 | 0.80 | SPHK1 (0.43) | SPHK1CYP3A4CYP2C9KCNH2HRH3 | |
| Hydrochloric Acid SCHEMBL20543303 | 0.80 | SLC18A3 (0.48) | SPHK1CYP3A4CYP2C9SLC18A3ESR2 |
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 2 patents. 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 |
| WO-2020259703-A1 | PYRAZOLOPYRIMIDINE COMPOUND, PREPARATION METHOD FOR SAME, AND APPLICATIONS THEREOF | 上海医药集团股份有限公司 | 2020-12-30 | — | — | WO | disclosed |