Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.39 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20687962 | 0.81 | PARP1 (0.49) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29464219 | 0.80 | PARP1 (0.48) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL19994372 | 0.80 | PARP1 (0.48) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20153301 | 0.80 | RECQL (0.60) | PARP1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL20688055 | 0.80 | PARP1 (0.45) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL22136195 | 0.78 | PARP1 (0.58) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL25364537 | 0.77 | PARP1 (0.48) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20889900 | 0.76 | PARP1 (0.45) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL536720 | 0.76 | PARP1 (0.57) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17144056 | 0.76 | ALDH1A1 (0.52) | PARP1CNR2ALDH1A1CYP1A2CYP3A4 |
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-3572413-B1 | 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR | SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) | 2021-11-03 | — | — | EP | disclosed |