Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1B | Q01064 | 8/20 | 0.39 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ACLY | P53396 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.35 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16794676 | 0.91 | PDE1B (0.40) | PDE1BALDH1A1HTTSMN1; SMN2HSP90AA1 | |
| SCHEMBL18161034 | 0.91 | PDE1B (0.41) | PDE1BALDH1A1HTTSMN1; SMN2HSP90AA1 | |
| SCHEMBL16812352 | 0.88 | PDE1B (0.38) | PDE1BALDH1A1HTTSMN1; SMN2HSP90AA1 | |
| SCHEMBL16794693 | 0.87 | MAPT (0.42) | PDE1BALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL16812355 | 0.87 | ALDH1A1 (0.39) | PDE1BALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL16812493 | 0.87 | NR3C1 (0.39) | PDE1BALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL3021969 | 0.86 | BCL2A1 (0.39) | PDE1BALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL20504495 | 0.86 | PDE1B (0.38) | PDE1BPARP1PARP2MEN1KMT2A | |
| SCHEMBL29754326 | 0.84 | PTPN1 (0.38) | PDE1BALDH1A1HTTSMN1; SMN2HSP90AA1 | |
| SCHEMBL16812354 | 0.84 | CDK5 (0.39) | PDE1BSMN1; SMN2MEN1KMT2ANR3C1 |
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-2022037694-A1 | A CLASS OF FIVE- AND SIX-MEMBERED HETEROCYCLIC COMPOUNDS AND USE THEREOF AS PROTEIN RECEPTOR KINASE INHIBITORS | 轶诺(浙江)药业有限公司 | 2022-02-24 | — | — | WO | disclosed |