Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.54 |
| ▸ | REN | P00797 | 9/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11961305 | 0.95 | ALDH1A1 (0.53) | ALDH1A1SIGMAR1REN | |
| SCHEMBL16118740 | 0.88 | ALDH1A1 (0.48) | ALDH1A1SIGMAR1REN | |
| SCHEMBL6441639 | 0.87 | ALDH1A1 (0.67) | ALDH1A1 | |
| SCHEMBL3291118 | 0.87 | ALDH1A1 (0.67) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3268062 | 0.85 | ALDH1A1 (0.70) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3291115 | 0.85 | ALDH1A1 (0.70) | ALDH1A1 | |
| SCHEMBL15111742 | 0.83 | ATM (0.53) | ALDH1A1CNR1CNR2 | |
| SCHEMBL15111743 | 0.83 | ATM (0.53) | ALDH1A1CNR1CNR2 | |
| SCHEMBL16307890 | 0.82 | KDM4E (0.51) | ALDH1A1 | |
| SCHEMBL11960850 | 0.82 | PPARG (0.58) | SIGMAR1 |
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-2014152127-A1 | DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS | ONYX THERAPEUTICS, INC. (US) | 2014-09-25 | — | — | WO | disclosed |