Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 1.00 |
| ▸ | ALDH3A1 | P30838 | 6/20 | 1.00 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 1.00 |
| ▸ | ALDH2 | P05091 | 5/20 | 0.71 |
| ▸ | CES1 | P23141 | 6/20 | 0.57 |
| ▸ | BCHE | P06276 | 3/20 | 0.57 |
| ▸ | TGM2 | P21980 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.55 |
| ▸ | PARK7 | Q99497 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16798771 | 1.00 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1RCE1ALDH2CES1 | |
| SCHEMBL16798812 | 0.83 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1RCE1ALDH2CES1 | |
| SCHEMBL16798810 | 0.83 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1RCE1ALDH2CES1 | |
| SCHEMBL950200 | 0.82 | ALDH1A1 (0.69) | ALDH1A1ALDH3A1RCE1ALDH2CES1 | |
| SCHEMBL950201 | 0.82 | ALDH1A1 (0.69) | ALDH1A1ALDH3A1RCE1ALDH2CES1 | |
| SCHEMBL23847348 | 0.82 | ALDH1A1 (0.69) | ALDH1A1ALDH3A1RCE1ALDH2CHRM1 | |
| SCHEMBL10421306 | 0.82 | ALDH1A1 (0.69) | ALDH1A1ALDH3A1RCE1ALDH2CHRM1 | |
| SCHEMBL15215076 | 0.77 | ALDH1A1 (0.64) | ALDH1A1ALDH3A1RCE1ALDH2PARK7 | |
| SCHEMBL950088 | 0.77 | CASP3 (0.72) | ALDH1A1ALDH3A1RCE1ALDH2CES1 | |
| SCHEMBL29724215 | 0.77 | CASP3 (0.72) | ALDH1A1ALDH3A1RCE1ALDH2CES1 |
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 |