Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 6/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | ALDH2 | P05091 | 3/20 | 0.65 |
| ▸ | CES1 | P23141 | 3/20 | 0.61 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28533366 | 0.85 | ALDH3A1 (0.67) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 | |
| SCHEMBL4625293 | 0.84 | ALDH3A1 (0.65) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 | |
| SCHEMBL29220078 | 0.84 | ALDH3A1 (0.65) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 | |
| SCHEMBL16048101 | 0.84 | ALDH3A1 (0.65) | ALDH3A1ALDH1A1ALDH2CHRM5CA12 | |
| SCHEMBL11150299 | 0.83 | ALDH1A1 (0.63) | ALDH3A1ALDH1A1ALDH2CHRM5 | |
| SCHEMBL29011260 | 0.81 | ALDH3A1 (0.62) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 | |
| SCHEMBL16046979 | 0.81 | ALDH1A1 (0.62) | ALDH3A1ALDH1A1ALDH2CES1 | |
| SCHEMBL16044675 | 0.80 | ALDH3A1 (0.60) | ALDH3A1ALDH1A1ALDH2CHRM5CA12 | |
| SCHEMBL29011259 | 0.80 | ALDH3A1 (0.60) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 | |
| SCHEMBL7555010 | 0.80 | ALDH3A1 (0.60) | ALDH3A1ALDH1A1ALDH2CES1CHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015179218-A1 | AZA-ELLIPTICINE ANALOGS, METHODS OF SYNTHESIS AND METHODS OF TREATMENT | MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) | 2015-11-26 | — | — | WO | disclosed |