Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23536299 | 0.87 | TP53 (0.39) | MAPTLMNANPC1OPRD1 | |
| SCHEMBL25336947 | 0.86 | NPC1 (0.39) | ALDH1A1MAPTSMN1; SMN2CXCR3LMNA | |
| SCHEMBL13015494 | 0.80 | DPP4 (0.38) | ALDH1A1MAPTSMN1; SMN2LMNAMEN1 | |
| SCHEMBL31407899 | 0.80 | KMT2A (0.32) | ALDH1A1SMN1; SMN2LMNAPOLBMEN1 | |
| SCHEMBL23536489 | 0.80 | CYP11B2 (0.39) | NPC1OPRD1OPRK1 | |
| SCHEMBL25340473 | 0.80 | DPP4 (0.39) | ALDH1A1MAPTSMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL31726831 | 0.78 | CYP11B2 (0.38) | — | |
| SCHEMBL23536426 | 0.77 | CYP11B2 (0.40) | NPC1 | |
| SCHEMBL25338150 | 0.75 | BACE1 (0.32) | MAPTLMNANPC1 | |
| SCHEMBL25338900 | 0.75 | NPC1 (0.36) | ALDH1A1MAPTSMN1; SMN2CXCR3NPC1 |
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-2023186069-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2023-10-05 | — | — | WO | disclosed |