Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL8762577 | 0.81 | TAS2R38 (0.42) | ALDH1A1NPC1MAPTHPGDALOX15 | |
| SCHEMBL14127160 | 0.79 | CES2 (0.56) | CES2CES1ALDH1A1NPC1MAPT | |
| SCHEMBL6549015 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1NPC1MAPT | |
| SCHEMBL30425979 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1NPC1MAPT | |
| SCHEMBL2927656 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1NPC1MAPT | |
| SCHEMBL23429108 | 0.75 | CES2 (0.52) | CES2CES1ALDH1A1NPC1MAPT | |
| SCHEMBL12077513 | 0.75 | CES2 (0.52) | CES2CES1ALDH1A1NPC1MAPT | |
| SCHEMBL4763522 | 0.75 | ALDH1A1 (0.60) | CES2CES1ALDH1A1NPC1MAPT | |
| SCHEMBL20560336 | 0.75 | ALDH1A1 (0.60) | CES2CES1ALDH1A1NPC1MAPT | |
| SCHEMBL22485615 | 0.75 | CES2 (0.52) | CES2CES1ALDH1A1NPC1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |
| CN-106029076-A | Benzopiperazine compositions as BET bromodomain inhibitors | 福马疗法公司 | 2016-10-12 | — | — | CN | disclosed |