Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | SDHB | P21912 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30564451 | 0.86 | ADRA2A (0.45) | ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL15374716 | 0.70 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL5565823 | 0.69 | PTGS2 (0.32) | ALDH1A1 | |
| SCHEMBL29222716 | 0.65 | ADRA2A (0.61) | ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL12178135 | 0.65 | PARP1 (0.54) | ADRA2AADRA2BADRA2CADRA1ADAO | |
| SCHEMBL30564415 | 0.63 | ADRA2A (0.40) | ADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL19744350 | 0.62 | MAPT (0.43) | ADRA2AADRA2BADRA2CADRA1AMAPT | |
| SCHEMBL31170819 | 0.62 | MAPT (0.43) | ADRA2AADRA2BADRA2CADRA1AMAPT | |
| SCHEMBL23231070 | 0.60 | KMT2A (0.42) | ADRA2AADRA2BADRA2CADRA1ADAO | |
| SCHEMBL4158892 | 0.59 | KEAP1 (0.45) | DAOKEAP1NFE2L2MAPTALDH1A1 |
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-116715658-A | Benzocyclic ketone derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-09-08 | — | — | CN | disclosed |