Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2516026 | 0.90 | PRKCA (0.31) | — | |
| SCHEMBL2514490 | 0.77 | ALDH1A1 (0.35) | ALDH1A1TP53TSHR | |
| SCHEMBL8931433 | 0.74 | LMNA (0.34) | ALDH1A1TP53TSHR | |
| SCHEMBL24082887 | 0.69 | — | — | |
| SCHEMBL3371080 | 0.67 | — | — | |
| SCHEMBL28240807 | 0.65 | TSHR (0.36) | ALDH1A1TP53TSHR | |
| SCHEMBL6031180 | 0.57 | — | — | |
| SCHEMBL10704420 | 0.54 | — | — | |
| Trichloroacetic Acid SCHEMBL1331955 | 0.53 | — | — | |
| Trichloroacetic Acid SCHEMBL10493657 | 0.53 | TSHR (1.00) | ALDH1A1TP53TSHR |
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-2011109874-A1 | INHIBITION OF GLUTATHIONE TRANSFERASE ZETA | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 2011-09-15 | — | — | WO | disclosed |