Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30109166 | 0.70 | MEN1 (0.41) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL436336 | 0.70 | MEN1 (0.41) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL15241791 | 0.68 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL28016128 | 0.68 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL24701710 | 0.68 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL28018765 | 0.68 | ADRA2A (0.39) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL13180801 | 0.65 | SLC6A2 (0.43) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL11081014 | 0.65 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL31122158 | 0.65 | ADRA2A (0.37) | ADRA2AADRA2BADRA2CCYP1A2SLC6A2 | |
| SCHEMBL5662790 | 0.64 | NOTUM (0.41) | ADRA2AADRA2BADRA2CCYP1A2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112778280-B | Anthraquinone natural product modified derivative | 中国医学科学院药用植物研究所 | 2022-05-10 | — | — | CN | disclosed |
| CN-112778280-A | Anthraquinone natural product modified derivative | 中国医学科学院药用植物研究所 | 2021-05-11 | — | — | CN | disclosed |