Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | LIPE | Q05469 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4556707 | 0.83 | SLC6A4 (0.51) | ALDH1A1GAAENPP2LIPEKMT2A | |
| SCHEMBL28636681 | 0.83 | ENPP2 (0.58) | ALDH1A1ENPP2L3MBTL1ACHELMNA | |
| SCHEMBL13722502 | 0.81 | ENPP2 (0.57) | ALDH1A1ENPP2L3MBTL1LMNANPSR1 | |
| SCHEMBL29889491 | 0.81 | ENPP2 (0.59) | ALDH1A1GAAENPP2L3MBTL1LMNA | |
| SCHEMBL20600 | 0.81 | ENPP2 (0.59) | ALDH1A1GAAENPP2L3MBTL1LMNA | |
| SCHEMBL28646988 | 0.80 | ENPP2 (0.53) | ALDH1A1ENPP2L3MBTL1LMNACASP1 | |
| SCHEMBL3174031 | 0.79 | ALDH1A1 (0.64) | ALDH1A1GAAL3MBTL1ACHEAR | |
| SCHEMBL30979267 | 0.79 | ALDH1A1 (0.64) | ALDH1A1GAAL3MBTL1ACHEAR | |
| SCHEMBL2842257 | 0.78 | ALDH1A1 (0.68) | ALDH1A1GAAL3MBTL1ACHEAR | |
| SCHEMBL30358259 | 0.78 | ALDH1A1 (0.68) | ALDH1A1GAAL3MBTL1ACHEAR |
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-113493419-A | EGFR tyrosine kinase inhibitor and application thereof | 南京药石科技股份有限公司 | 2021-10-12 | — | — | CN | disclosed |