Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270744 | 0.86 | TP53 (0.34) | ALDH1A1MAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL29270847 | 0.86 | TP53 (0.47) | MAPTLMNATP53SMN1; SMN2NPC1 | |
| SCHEMBL29270781 | 0.86 | TP53 (0.37) | ALDH1A1MAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL29270810 | 0.83 | TP53 (0.35) | ALDH1A1MAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL29270828 | 0.82 | TP53 (0.34) | ALDH1A1MAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL29270726 | 0.82 | TP53 (0.37) | ALDH1A1MAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL29270819 | 0.81 | NOTUM (0.37) | ALDH1A1MAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL29270772 | 0.81 | TP53 (0.35) | ALDH1A1MAPTLMNATP53SMN1; SMN2 | |
| SCHEMBL29270722 | 0.79 | CHRM2 (0.38) | XIAP | |
| SCHEMBL26961798 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDALOX12MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |