Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 6/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22852291 | 0.82 | SPHK1 (0.53) | ALDH1A1TP53CYP3A4ALOX15MAPK1 | |
| SCHEMBL22851855 | 0.82 | SPHK1 (0.53) | ALDH1A1TP53CYP3A4ALOX15MAPK1 | |
| SCHEMBL29776876 | 0.79 | MEN1 (0.47) | ALDH1A1TP53CYP3A4ALOX15MAPK1 | |
| SCHEMBL24385454 | 0.79 | SPHK1 (0.36) | CYP3A4SPHK1HTR1DHTR1BHTR2A | |
| SCHEMBL22852470 | 0.79 | HTR2C (0.47) | SPHK1HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL14220920 | 0.76 | ESR2 (0.39) | ALDH1A1TP53CYP3A4ALOX15MAPK1 | |
| SCHEMBL31378855 | 0.72 | TDP1 (0.40) | ALDH1A1TP53CYP3A4ALOX15MAPK1 | |
| SCHEMBL1624198 | 0.71 | SLC18A3 (0.44) | ALDH1A1TP53CYP3A4ALOX15TDP1 | |
| SCHEMBL1624197 | 0.71 | SLC18A3 (0.44) | ALDH1A1TP53CYP3A4ALOX15TDP1 | |
| SCHEMBL16510459 | 0.71 | CYP19A1 (0.35) | ALDH1A1CYP19A1SLC18A3MEN1MAPT |
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 |