Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 4/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL26484763 | 0.87 | ALDH1A1 (0.43) | ALDH1A1ALDH1A3ACACBRECQLNPSR1 | |
| SCHEMBL12354671 | 0.85 | ACACB (0.43) | ALDH1A1ALDH1A3ACACBRECQLNPSR1 | |
| SCHEMBL26484765 | 0.84 | ALDH1A1 (0.47) | ALDH1A1ALDH1A3ACACBRECQLNPSR1 | |
| SCHEMBL26484667 | 0.84 | SMN1; SMN2 (0.46) | ALDH1A1HTTSMN1; SMN2ADRA1ADRD2 | |
| SCHEMBL21267239 | 0.83 | CCR4 (0.41) | ALDH1A1ALDH1A3ACACBRECQLNPSR1 | |
| SCHEMBL8343748 | 0.83 | ALDH1A1 (0.58) | ALDH1A1ALDH1A3RECQLNPSR1HTT | |
| SCHEMBL24123755 | 0.82 | ALDH1A1 (0.43) | ALDH1A1ALDH1A3HTTSMN1; SMN2ADRA1A | |
| SCHEMBL24736689 | 0.82 | GAA (0.41) | ALDH1A1ACACBHTR6SMN1; SMN2 | |
| SCHEMBL26406701 | 0.82 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3HTTSMN1; SMN2ADRA1A | |
| SCHEMBL12354673 | 0.81 | ACACB (0.45) | ALDH1A1ALDH1A3ACACBRECQLNPSR1 |
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 |