Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | DBH | P09172 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10878922 | 0.78 | NPC1 (0.63) | HDAC1HDAC6CYP19A1ALDH1A1DBH | |
| SCHEMBL6057565 | 0.78 | HDAC1 (0.50) | HDAC1HDAC6CYP19A1ALDH1A1CYP1A2 | |
| SCHEMBL27825167 | 0.77 | ESR1 (0.54) | ESR1ESR2ALDH1A1CYP3A4TSHR | |
| SCHEMBL35352 | 0.77 | CYP19A1 (0.56) | HDAC1HDAC6CYP19A1ALDH1A1CYP1A2 | |
| SCHEMBL8496488 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6ALDH1A1ABATCA2 | |
| SCHEMBL28105722 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6CYP19A1ALDH1A1CYP1A2 | |
| SCHEMBL7809213 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6CYP19A1ALDH1A1CYP1A2 | |
| SCHEMBL27688547 | 0.76 | CYP11B1 (0.57) | HDAC1HDAC6CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL15201955 | 0.76 | HDAC1 (0.48) | HDAC1HDAC6CYP19A1ALDH1A1POLB | |
| SCHEMBL13946670 | 0.76 | CYP11B1 (0.57) | HDAC1HDAC6CYP19A1ALDH1A1POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103373995-B | A kind of method preparing Malaridine | SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) | 2016-04-27 | — | — | CN | claimed |
| CN-117820255-A | Application of catalyst and degradation method of ester substance | 上海科技大学 | 2024-04-05 | — | — | CN | disclosed |
| CN-103373995-B | A kind of method preparing Malaridine | SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) | 2016-04-27 | — | — | CN | disclosed |