Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | KDM5A | P29375 | 2/20 | 0.30 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.30 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.30 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.30 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL31352036 | 0.77 | ALDH1A1 (0.36) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL2579739 | 0.77 | ALDH1A1 (0.36) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL20168656 | 0.76 | KEAP1 (0.37) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL9129355 | 0.76 | ALDH1A1 (0.35) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL8131339 | 0.76 | KEAP1 (0.37) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| Cyclobutoic Acid SCHEMBL2109852 | 0.74 | CHRM1 (0.46) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL10358243 | 0.74 | KEAP1 (0.36) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL10942267 | 0.73 | ALDH1A1 (0.39) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL6282896 | 0.72 | ALDH1A1 (0.36) | ALDH1A1EPHX2LMNAKEAP1NFE2L2 | |
| SCHEMBL29142969 | 0.71 | KEAP1 (0.37) | ALDH1A1EPHX2KEAP1NFE2L2HMGCR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0039105-B1 | PROCESS FOR RECOVERY OF AN ALIPHATIC DIOL OLIGOMERIZATION SOLVENT | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-10-05 | — | — | EP | disclosed |
| EP-0021490-A1 | Process for the recovery of ethylene oligomers | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-01-07 | — | — | EP | disclosed |