Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7289608 | 0.70 | TP53 (0.33) | — | |
| SCHEMBL7289612 | 0.70 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL14249210 | 0.70 | KDM4E (0.43) | ALDH1A1LMNAHPGDMAPK1MAPT | |
| SCHEMBL11399939 | 0.68 | ALDH1A1 (0.35) | HDAC1HDAC6ALDH1A1LMNAHPGD | |
| Bromide SCHEMBL30123160 | 0.67 | — | — | |
| SCHEMBL12339113 | 0.66 | TSHR (0.32) | ALDH1A1 | |
| SCHEMBL4600542 | 0.65 | — | — | |
| SCHEMBL1076625 | 0.65 | SLC6A2 (0.32) | — | |
| SCHEMBL9823843 | 0.65 | ALDH1A1 (0.39) | ALDH1A1LMNAHPGDMAPK1MAPT | |
| SCHEMBL11395747 | 0.64 | ALDH1A1 (0.35) | ALDH1A1LMNAHPGDMAPK1MAPT |
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-105073748-B | New octahydro-pyrrolo- [3,4-c]-azole derivatives as autotaxin inhibitors and the like | 豪夫迈·罗氏有限公司 | 2018-06-01 | — | — | CN | disclosed |