Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31316969 | 0.73 | ALDH1A1 (0.53) | ALDH1A1LMNANSD2CXCR3L3MBTL1 | |
| Methyl Alcohol SCHEMBL28106962 | 0.69 | ALDH1A1 (0.41) | ALDH1A1LMNANSD2L3MBTL1CYP19A1 | |
| SCHEMBL2997525 | 0.67 | ALDH1A1 (0.57) | ALDH1A1LMNANSD2L3MBTL1CYP19A1 | |
| SCHEMBL14224071 | 0.67 | ALDH1A1 (0.40) | ALDH1A1LMNANSD2L3MBTL1CYP19A1 | |
| SCHEMBL28298445 | 0.67 | ALDH1A1 (0.44) | ALDH1A1LMNANSD2L3MBTL1CYP19A1 | |
| SCHEMBL18844881 | 0.66 | KCNH2 (0.34) | ALDH1A1LMNASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19359506 | 0.66 | ALDH1A1 (0.43) | ALDH1A1LMNANSD2L3MBTL1CYP19A1 | |
| SCHEMBL4715025 | 0.63 | SLC6A2 (0.69) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| Methyl Alcohol SCHEMBL7970866 | 0.63 | MAOB (0.41) | ALDH1A1 | |
| SCHEMBL6367109 | 0.62 | ALDH1A1 (0.50) | ALDH1A1LMNANSD2L3MBTL1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3591387-B1 | METHOD FOR IDENTIFYING MOLECULAR STRUCTURE | UNIV TOKYO (JP) | 2023-09-27 | — | — | EP | disclosed |