Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30659694 | 0.84 | CA12 (0.51) | CA12CA1CA9KCNA3ALDH1A1 | |
| SCHEMBL15842782 | 0.77 | CYP2A6 (0.67) | CA12CA1CA9KCNA3ALDH1A1 | |
| SCHEMBL1627582 | 0.75 | CYP2A6 (0.64) | CA12CA1CA9KCNA3ALDH1A1 | |
| SCHEMBL29926079 | 0.74 | KDM4E (0.48) | CA12CA1CA9ALDH1A1MEN1 | |
| SCHEMBL15842325 | 0.74 | CA12 (0.54) | CA12CA1CA9KCNA3ALDH1A1 | |
| SCHEMBL14329522 | 0.74 | PTGS2 (0.55) | CA12CA1CA9KCNA3ALDH1A1 | |
| SCHEMBL5613861 | 0.73 | CA12 (0.53) | CA12CA1CA9KCNA3ALDH1A1 | |
| SCHEMBL24523000 | 0.72 | KCNA3 (0.70) | CA12CA1CA9KCNA3ALOX15 | |
| SCHEMBL14329527 | 0.72 | PTGS2 (0.57) | CA12CA1CA9KCNA3ALDH1A1 | |
| SCHEMBL14802636 | 0.72 | PTGS2 (0.57) | CA12CA1CA9KCNA3ALDH1A1 |
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-115057850-B | Aloe-emodin derivative and preparation method and application thereof | 中国医学科学院药用植物研究所 | 2023-11-10 | — | — | CN | disclosed |