Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 1.00 |
| ▸ | ALDH3A1 | P30838 | 7/20 | 1.00 |
| ▸ | ALDH2 | P05091 | 6/20 | 1.00 |
| ▸ | PARK7 | Q99497 | 6/20 | 0.71 |
| ▸ | CA12 | O43570 | 1/20 | 0.66 |
| ▸ | CA1 | P00915 | 1/20 | 0.66 |
| ▸ | CA2 | P00918 | 1/20 | 0.66 |
| ▸ | CA9 | Q16790 | 1/20 | 0.66 |
| ▸ | ACHE | P22303 | 2/20 | 0.61 |
| ▸ | CASP3 | P42574 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5659265 | 0.85 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1ALDH2CA12CA1 | |
| SCHEMBL16048068 | 0.83 | ALDH1A1 (0.71) | ALDH1A1ALDH3A1ALDH2PARK7CA12 | |
| SCHEMBL16044593 | 0.83 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1ALDH2PARK7CA12 | |
| SCHEMBL16799085 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ALDH3A1ALDH2PARK7CA12 | |
| SCHEMBL10586404 | 0.81 | ALDH1A1 (0.68) | ALDH1A1ALDH3A1ALDH2PARK7CA12 | |
| SCHEMBL29220077 | 0.80 | ALDH1A1 (0.67) | ALDH1A1ALDH3A1ALDH2PARK7ACHE | |
| SCHEMBL21001752 | 0.79 | ALDH1A1 (0.65) | ALDH1A1ALDH3A1ALDH2PARK7CA12 | |
| SCHEMBL4785743 | 0.79 | PARK7 (1.00) | ALDH1A1ALDH3A1ALDH2PARK7CA12 | |
| SCHEMBL29011253 | 0.78 | ALDH1A1 (0.63) | ALDH1A1ALDH3A1ALDH2ACHECUL4A | |
| SCHEMBL11147994 | 0.77 | ALDH1A1 (0.62) | ALDH1A1ALDH3A1ALDH2ACHECUL4A |
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 |