Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.42 |
| ▸ | PIM1 | P11309 | 3/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | PDE9A | O76083 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25038378 | 0.95 | ADORA1 (0.41) | ADORA1ADORA2APIM1KDRHSD17B1 | |
| SCHEMBL25038608 | 0.89 | ADORA2A (0.37) | ADORA1ADORA2APIM1KDRHSD17B1 | |
| SCHEMBL25038382 | 0.88 | ADORA1 (0.36) | ADORA1ADORA2APIM1HSD17B10ALDH1A1 | |
| SCHEMBL25038655 | 0.87 | XDH (0.37) | ADORA1ADORA2APIM1HSD17B1HSD17B2 | |
| SCHEMBL25038446 | 0.86 | ADORA1 (0.43) | ADORA1ADORA2APIM1KDRHSD17B10 | |
| SCHEMBL25038350 | 0.86 | FASN (0.38) | ADORA1ADORA2APIM1HSD17B1HSD17B2 | |
| SCHEMBL25036039 | 0.85 | ADORA2A (0.37) | ADORA1ADORA2APIM1KDRHSD17B1 | |
| SCHEMBL25036062 | 0.85 | ADORA2A (0.39) | ADORA1ADORA2APIM1KDRHSD17B1 | |
| SCHEMBL25038432 | 0.85 | ADORA1 (0.38) | ADORA1ADORA2APIM1HSD17B10ALDH1A1 | |
| SCHEMBL25036148 | 0.84 | CYP11B1 (0.35) | HSD17B10ALDH1A1KDM4ECYP1A2MAPK1 |
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-2023018267-A1 | NOVEL COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2023-02-16 | — | — | WO | disclosed |