Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL28670678 | 0.73 | GLA (0.39) | ADORA1GLAMEN1KMT2AALDH1A1 | |
| SCHEMBL4777248 | 0.72 | GLA (0.36) | ADORA1GLAMEN1KMT2AALDH1A1 | |
| SCHEMBL27037069 | 0.71 | ESR2 (0.36) | ADORA1MEN1KMT2ASMN1; SMN2GPR119 | |
| SCHEMBL20670426 | 0.70 | GLA (0.42) | ADORA1GLAMEN1KMT2AALDH1A1 | |
| SCHEMBL29099338 | 0.69 | GLA (0.43) | ADORA1GLAMEN1KMT2AALDH1A1 | |
| SCHEMBL7863282 | 0.69 | GLA (0.46) | ADORA1GLAMEN1KMT2AALDH1A1 | |
| SCHEMBL28970107 | 0.68 | PREP (0.36) | MEN1KMT2AALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL3505154 | 0.67 | ESR2 (0.45) | ADORA1MEN1KMT2ASMN1; SMN2GPR119 | |
| SCHEMBL28679745 | 0.66 | ADORA1 (0.40) | ADORA1GLAMEN1KMT2AALDH1A1 | |
| SCHEMBL28932778 | 0.66 | ADORA1 (0.38) | ADORA1GLAMEN1KMT2AALDH1A1 |
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-113795491-A | Bridged ring-3, 4-dihydro-pyrido [1,2-a ] pyrazine-1, 8-dione compound and pharmaceutical use thereof | 上海拓界生物医药科技有限公司 | 2021-12-14 | — | — | CN | disclosed |