Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.37 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.37 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30612393 | 0.90 | PTPN1 (0.43) | PTPN1ALDH1A1SMN1; SMN2HTTPDE1B | |
| SCHEMBL30612383 | 0.87 | IDO1 (0.43) | PTPN1ALDH1A1SMN1; SMN2HTTPDE4B | |
| SCHEMBL24263381 | 0.82 | PDE1B (0.39) | PTPN1ALDH1A1SMN1; SMN2PARP1HTT | |
| SCHEMBL24263534 | 0.74 | TYK2 (0.54) | CYP3A4CYP2C19 | |
| SCHEMBL16794676 | 0.73 | PDE1B (0.40) | PTPN1ALDH1A1SMN1; SMN2HTTPDE1B | |
| SCHEMBL18161034 | 0.73 | PDE1B (0.41) | PTPN1ALDH1A1SMN1; SMN2HTTPDE1B | |
| SCHEMBL20504495 | 0.73 | PDE1B (0.38) | PARP1PDE1BMEN1KMT2AHTR2A | |
| SCHEMBL30612392 | 0.72 | KDM4E (0.49) | PTPN1ALDH1A1SMN1; SMN2PARP1HTT | |
| SCHEMBL30612385 | 0.72 | PDE1B (0.33) | ALDH1A1PDE1BPOLBLMNAKMT2A | |
| SCHEMBL16812352 | 0.71 | PDE1B (0.38) | ALDH1A1SMN1; SMN2HTTPDE1BMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-117043164-A | Imidazopyridazine or pyrazolopyrimidine compounds and compositions | 安锐生物医药科技(广州)有限公司 | 2023-11-10 | — | — | CN | disclosed |
| WO-2023155900-A1 | FIVE-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND, AND USE THEREOF AS PROTEIN KINASE INHIBITOR | 上海轶诺药业有限公司 | 2023-08-24 | — | — | WO | disclosed |