Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.50 |
| ▸ | DRD3 | P35462 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.49 |
| ▸ | HTR3B | O95264 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.49 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL26418374 | 0.88 | DRD2 (0.51) | DRD2DRD3SIGMAR1CYP2C19HTR3E | |
| SCHEMBL7714901 | 0.86 | DRD2 (0.50) | DRD2DRD3SIGMAR1CYP2C19HTR3E | |
| SCHEMBL26407207 | 0.83 | OPRK1 (0.43) | DRD2DRD3TSHRALDH1A1LMNA | |
| SCHEMBL7716782 | 0.81 | DRD2 (0.69) | DRD2DRD3ADRA1A | |
| SCHEMBL7718924 | 0.81 | TSHR (0.51) | DRD2DRD3TSHR | |
| SCHEMBL24123853 | 0.80 | OPRK1 (0.41) | DRD2DRD3TSHRALDH1A1LMNA | |
| SCHEMBL8693688 | 0.80 | DRD2 (0.58) | DRD2DRD3SIGMAR1CYP2C19HTR3E | |
| SCHEMBL20140998 | 0.77 | MCOLN2 (0.55) | DRD2DRD3ALDH1A1 | |
| SCHEMBL7865825 | 0.76 | DRD2 (0.62) | DRD2DRD3SIGMAR1CYP2C19HTR3E | |
| SCHEMBL24123852 | 0.75 | ME3 (0.46) | — |
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-2021254389-A1 | PYRAZOLO[3,4-D]PYRIMIDINE-3-KETONE DERIVATIVE AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2021-12-23 | — | — | WO | disclosed |