Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8072556 | 1.00 | ALDH1A1 (0.56) | ALDH1A1LMNATSHRCYP3A4CA2 | |
| Butanal SCHEMBL8140258 | 0.96 | ALDH1A1 (0.51) | ALDH1A1LMNATSHRCYP3A4CA2 | |
| Butanal SCHEMBL8140256 | 0.96 | ALDH1A1 (0.51) | ALDH1A1LMNATSHRCYP3A4CA2 | |
| Butanal SCHEMBL21542575 | 0.80 | ALDH1A1 (0.69) | ALDH1A1LMNATSHRCYP3A4CA2 | |
| SCHEMBL27562843 | 0.79 | TSHR (0.61) | TSHRCA2SMN1; SMN2MAPK1 | |
| SCHEMBL8926219 | 0.79 | TSHR (0.61) | TSHRCA2SMN1; SMN2MAPK1 | |
| Formic Acid SCHEMBL28095075 | 0.77 | ALDH1A1 (0.78) | ALDH1A1LMNATSHRCYP3A4CA2 | |
| SCHEMBL6554564 | 0.77 | — | — | |
| SCHEMBL366896 | 0.77 | — | — | |
| SCHEMBL366897 | 0.77 | — | — |
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-0869936-B1 | METHOD FOR DISTILLING ALCOHOLS | CELANESE CHEM EUROPE GMBH (DE) | 2000-08-16 | — | — | EP | disclosed |