Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL29000561 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1LPAR1EPHX2 | |
| SCHEMBL293781 | 0.85 | MEN1 (0.56) | ALDH1A1KMT2AMEN1LMNAHPGD | |
| SCHEMBL19526512 | 0.85 | MEN1 (0.56) | ALDH1A1KMT2AMEN1LMNAHPGD | |
| SCHEMBL15028038 | 0.84 | ALDH1A1 (0.45) | ALDH1A1MAPK1L3MBTL1LPAR1EPHX2 | |
| SCHEMBL1363999 | 0.84 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1EPHX2KMT2A | |
| SCHEMBL28769441 | 0.83 | TRPA1 (0.51) | ALDH1A1MAPK1L3MBTL1LPAR1EPHX2 | |
| SCHEMBL20158524 | 0.82 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1LPAR1EPHX2 | |
| SCHEMBL22033505 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1KMT2AMEN1 | |
| SCHEMBL1364176 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1EPHX2KMT2A | |
| SCHEMBL1366401 | 0.82 | ALDH1A1 (0.56) | ALDH1A1MAPK1L3MBTL1EPHX2KMT2A |
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-115948356-A | Carbonyl reductase mutant and application thereof in preparation of (R) -8-chloro-6-hydroxyoctanoate compounds | 复旦大学 | 2023-04-11 | — | — | CN | disclosed |