Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15313455 | 0.85 | MAPT (0.56) | ALDH1A1RAB9ANPC1POLBMEN1 | |
| SCHEMBL29081751 | 0.80 | POLB (0.48) | ALDH1A1POLBMEN1KMT2ATDP1 | |
| SCHEMBL20597773 | 0.80 | PARP10 (0.50) | ALDH1A1LMNARAB9APKMPARP10 | |
| SCHEMBL19296181 | 0.80 | PARP10 (0.50) | ALDH1A1LMNARAB9APKMPARP10 | |
| SCHEMBL8865449 | 0.79 | APLNR (0.56) | ALDH1A1POLBMEN1KMT2ATSHR | |
| SCHEMBL5834513 | 0.78 | ALDH1A1 (0.46) | ALDH1A1POLBMEN1KMT2ATDP1 | |
| SCHEMBL491098 | 0.78 | POLB (0.54) | ALDH1A1RAB9APKMNPC1POLB | |
| SCHEMBL491128 | 0.77 | ALOX5 (0.64) | ALDH1A1RAB9APKMNPC1POLB | |
| SCHEMBL21125954 | 0.76 | APLNR (0.49) | ALDH1A1POLBMEN1KMT2ATDP1 | |
| SCHEMBL8642124 | 0.76 | APLNR (0.49) | ALDH1A1POLBMEN1KMT2ATDP1 |
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-109963835-B | Preparation method of neotoxin and intermediate thereof | 江苏恒瑞医药股份有限公司 | 2022-10-21 | — | — | CN | disclosed |