Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24208967 | 1.00 | ALDH1A1 (0.31) | ALDH1A1KDM4ERORC | |
| SCHEMBL24209224 | 1.00 | ALDH1A1 (0.31) | ALDH1A1KDM4ERORC | |
| SCHEMBL22015103 | 1.00 | ALDH1A1 (0.31) | ALDH1A1KDM4ERORC | |
| SCHEMBL24208996 | 0.84 | ALDH1A1 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL22015438 | 0.81 | TP53 (0.33) | ALDH1A1 | |
| SCHEMBL22014794 | 0.81 | TP53 (0.33) | ALDH1A1 | |
| SCHEMBL24209047 | 0.81 | TP53 (0.33) | ALDH1A1 | |
| SCHEMBL20898342 | 0.80 | ALDH1A1 (0.32) | ALDH1A1KDM4ERORC | |
| SCHEMBL20907500 | 0.80 | ALDH1A1 (0.32) | ALDH1A1KDM4ERORC | |
| Hydrochloric Acid SCHEMBL22555786 | 0.79 | ALDH1A1 (0.31) | ALDH1A1KDM4ERORC |
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-2020099886-A1 | LOX INHIBITORS | THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) | 2020-05-22 | — | — | WO | disclosed |