Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 1.00 |
| ▸ | ALDH2 | P05091 | 6/20 | 1.00 |
| ▸ | ALDH3A1 | P30838 | 6/20 | 1.00 |
| ▸ | PARK7 | Q99497 | 5/20 | 1.00 |
| ▸ | PKM | P14618 | 2/20 | 0.82 |
| ▸ | CES1 | P23141 | 4/20 | 0.73 |
| ▸ | BCHE | P06276 | 2/20 | 0.73 |
| ▸ | CASP3 | P42574 | 1/20 | 0.73 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.70 |
| ▸ | CA12 | O43570 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | CA9 | Q16790 | 1/20 | 0.63 |
| ▸ | TGM2 | P21980 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL16798801 | 0.90 | ALDH1A1 (1.00) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL4597126 | 0.87 | ALDH1A1 (0.77) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| Hydrochloric Acid SCHEMBL9096959 | 0.85 | ALDH1A1 (0.74) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL19924204 | 0.85 | CES1 (1.00) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL13442858 | 0.84 | CASP3 (1.00) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL16111939 | 0.84 | ALDH1A1 (0.71) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL16112176 | 0.84 | ALDH3A1 (0.71) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL28137283 | 0.83 | ALDH1A1 (0.69) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL29506660 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ALDH2ALDH3A1PARK7PKM | |
| SCHEMBL2087729 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ALDH2ALDH3A1PARK7PKM |
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-2015084731-A1 | ALDEHYDE DEHYDROGENASE INHIBITORS AND METHODS OF USE THEREOF | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2015-06-11 | — | — | WO | disclosed |