Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN4A | P35499 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28565598 | 1.00 | PDK1 (0.36) | PDK1NPC1RAB9ASMN1; SMN2HDAC9 | |
| SCHEMBL23306592 | 0.83 | PDK1 (0.38) | PDK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28549007 | 0.83 | LMNA (0.46) | MAPTLMNAHSD17B10POLBGAA | |
| SCHEMBL23306633 | 0.83 | LMNA (0.46) | MAPTLMNAHSD17B10POLBGAA | |
| SCHEMBL28560728 | 0.83 | PDK1 (0.38) | PDK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28549493 | 0.82 | DPP4 (0.45) | PDK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28549495 | 0.82 | DPP4 (0.45) | PDK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL29145459 | 0.80 | NPC1 (0.35) | PDK1NPC1RAB9ASMN1; SMN2HDAC9 | |
| SCHEMBL28544943 | 0.77 | PDK1 (0.34) | PDK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28912404 | 0.68 | SCN4A (0.48) | GAASCN9ASCN3ASCN5ASCN4A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574191-A | Isoxazole heterocyclic compound and application thereof | 南京圣和药业股份有限公司 | 2021-03-30 | — | — | CN | disclosed |