Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.34 |
| ▸ | HMGCR | P04035 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8745903 | 0.80 | ALDH1A1 (0.39) | ALDH1A1KEAP1NFE2L2CHRM1GRM2 | |
| Hydrochloric Acid SCHEMBL8745885 | 0.79 | ALDH1A1 (0.38) | ALDH1A1KEAP1NFE2L2CHRM1GRM2 | |
| SCHEMBL8131339 | 0.78 | KEAP1 (0.37) | ALDH1A1KEAP1NFE2L2CHRM1HMGCR | |
| SCHEMBL17047071 | 0.78 | CHRM1 (0.38) | ALDH1A1CHRM1HMGCRTBXA2RADRA1A | |
| SCHEMBL17047069 | 0.78 | CHRM1 (0.38) | ALDH1A1CHRM1HMGCRTBXA2RADRA1A | |
| SCHEMBL9225076 | 0.77 | ALDH1A1 (0.41) | ALDH1A1EPHX2LMNACYP2D6EPHX1 | |
| Cyclobutoic Acid SCHEMBL2109852 | 0.77 | CHRM1 (0.46) | ALDH1A1KEAP1NFE2L2CHRM1HMGCR | |
| SCHEMBL28714523 | 0.76 | ALDH1A1 (0.34) | ALDH1A1KEAP1NFE2L2CHRM1HMGCR | |
| SCHEMBL2579739 | 0.76 | ALDH1A1 (0.36) | ALDH1A1KEAP1NFE2L2CHRM1HMGCR | |
| SCHEMBL31352036 | 0.76 | ALDH1A1 (0.36) | ALDH1A1KEAP1NFE2L2CHRM1HMGCR |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005298337-A | METHOD FOR PRODUCING β-HYDROXYAMINO ACID DERIVATIVE AND INTERMEDIATE OF THE SAME | ONO PHARMACEUT CO LTD | 2005-10-27 | — | — | JP | disclosed |