Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH3A1 | P30838 | 10/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 1.00 |
| ▸ | CA1 | P00915 | 4/20 | 0.64 |
| ▸ | CA2 | P00918 | 4/20 | 0.64 |
| ▸ | BCHE | P06276 | 1/20 | 0.60 |
| ▸ | TGM2 | P21980 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18954909 | 0.83 | ALDH1A1 (0.71) | ALDH3A1ALDH1A1CA1CA2BCHE | |
| SCHEMBL16798764 | 0.82 | ALDH3A1 (1.00) | ALDH3A1ALDH1A1CA1CA2BCHE | |
| SCHEMBL9096430 | 0.81 | ALDH3A1 (1.00) | ALDH3A1ALDH1A1CA1CA2BCHE | |
| SCHEMBL16798774 | 0.79 | ALDH3A1 (1.00) | ALDH3A1ALDH1A1CA1CA2BCHE | |
| SCHEMBL4624782 | 0.79 | CA1 (0.97) | ALDH3A1ALDH1A1CA1CA2BCHE | |
| SCHEMBL16798705 | 0.79 | ALDH3A1 (1.00) | ALDH3A1ALDH1A1CA1CA2BCHE | |
| SCHEMBL16798648 | 0.78 | ALDH3A1 (1.00) | ALDH3A1ALDH1A1CA1CA2BCHE | |
| SCHEMBL4609657 | 0.78 | CA1 (1.00) | ALDH3A1ALDH1A1CA1CA2BCHE | |
| SCHEMBL9096325 | 0.76 | ALDH1A1 (0.60) | ALDH3A1ALDH1A1CA1CA2DRD2 | |
| SCHEMBL4624387 | 0.75 | ALDH3A1 (1.00) | ALDH3A1ALDH1A1CA1CA2BCHE |
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 |