Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10205827 | 0.85 | AKT1 (0.48) | TDO2AKT1AKT2LMNAMETAP2 | |
| SCHEMBL22258410 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HSD17B10IRAK4TDO2AKT1 | |
| SCHEMBL14825098 | 0.79 | AKT1 (0.44) | ALDH1A1TDO2AKT1AKT2NPC1 | |
| SCHEMBL25973455 | 0.76 | TDO2 (0.48) | ALDH1A1HSD17B10IRAK4TDO2AKT1 | |
| SCHEMBL20999462 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TDO2AKT1AKT2KDM4E | |
| SCHEMBL29597422 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TDO2AKT1AKT2KDM4E | |
| SCHEMBL29788122 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HSD17B10PDE4APDE4BPDE4C | |
| SCHEMBL365320 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HSD17B10PDE4APDE4BPDE4C | |
| SCHEMBL24105873 | 0.72 | MAP3K8 (0.48) | METAP2ADORA1 | |
| SCHEMBL28247997 | 0.72 | SMARCA2 (0.46) | ALDH1A1HSD17B10TDO2AKT1AKT2 |
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-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |