Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | HTR5A | P47898 | 4/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR1F | P30939 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1591601 | 0.75 | ALDH1A1 (0.45) | ALDH1A1PKMKMT2ALMNADAO | |
| SCHEMBL15476721 | 0.75 | PKM (0.47) | ALDH1A1PKMKMT2ALMNADAO | |
| SCHEMBL24152329 | 0.75 | GSK3B (0.50) | ALDH1A1DRD2 | |
| SCHEMBL24939910 | 0.75 | HTR6 (0.41) | ALDH1A1KMT2AMAPTL3MBTL1MEN1 | |
| SCHEMBL24939934 | 0.72 | CYP2D6 (0.56) | ALDH1A1LMNADRD2DRD3BCHE | |
| SCHEMBL24939864 | 0.72 | CHRNA7 (0.49) | DRD2DRD3OPRM1OPRK1 | |
| SCHEMBL23334525 | 0.72 | TSHR (0.37) | KMT2AHTR1ADRD2DRD3MAPT | |
| SCHEMBL24938955 | 0.71 | LMNA (0.49) | ALDH1A1KMT2ALMNADRD2DRD3 | |
| SCHEMBL14987904 | 0.71 | ALDH1A1 (0.45) | ALDH1A1PKMKMT2ALMNADAO | |
| SCHEMBL12626513 | 0.71 | DAO (0.51) | ALDH1A1PKMKMT2ALMNADAO |
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-115916206-A | Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same | 治愈医药社株式会社 | 2023-04-04 | — | — | CN | disclosed |