Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.75 |
| ▸ | LMNA | P02545 | 3/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.75 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.75 |
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | MAPT | P10636 | 2/20 | 0.75 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.75 |
| ▸ | THPO | P40225 | 2/20 | 0.75 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.75 |
| ▸ | GMNN | O75496 | 1/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.75 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.75 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.75 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.75 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.75 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.70 |
| ▸ | CA12 | O43570 | 4/20 | 0.68 |
| ▸ | CA1 | P00915 | 4/20 | 0.68 |
| ▸ | CA2 | P00918 | 4/20 | 0.68 |
| ▸ | CA9 | Q16790 | 4/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL21074219 | 0.88 | HDAC6 (0.67) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| Chlorambucil SCHEMBL5318105 | 0.86 | SMN1; SMN2 (1.00) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| Chlorambucil SCHEMBL4308 | 0.86 | SMN1; SMN2 (1.00) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| SCHEMBL6075151 | 0.85 | HDAC6 (0.67) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| Chlorambucil SCHEMBL23753952 | 0.85 | SMN1; SMN2 (0.97) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| Chlorambucil SCHEMBL11252839 | 0.85 | SMN1; SMN2 (0.97) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| Chlorambucil SCHEMBL4176516 | 0.85 | SMN1; SMN2 (0.97) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| Chlorambucil SCHEMBL28426894 | 0.85 | SMN1; SMN2 (0.97) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| Chlorambucil SCHEMBL28447772 | 0.85 | SMN1; SMN2 (0.97) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR | |
| Chlorambucil SCHEMBL5846926 | 0.85 | SMN1; SMN2 (0.97) | ALDH1A1LMNASMN1; SMN2HIF1ATSHR |
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-1881000-A1 | Conjugates of 2-fluoro-2-deoxy-glucose and their uses as anti cancer agents | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2008-01-23 | — | — | EP | disclosed |