Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | SLC15A1 | P46059 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL25984102 | 1.00 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL18709165 | 0.91 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL12564571 | 0.91 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL8224834 | 0.91 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL4955877 | 0.88 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL24201221 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL22403920 | 0.85 | ALDH1A1 (0.51) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL20960127 | 0.85 | ALDH1A1 (0.45) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL20960093 | 0.84 | ALDH1A1 (0.54) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA | |
| SCHEMBL28377873 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1SLC15A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-9650343-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-05-16 | — | — | US | disclosed |