Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GFER | P55789 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30954769 | 0.86 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL28907992 | 0.78 | KIF11 (0.46) | ALDH1A1HPGDTSHRKIF11RAB9A | |
| SCHEMBL29669657 | 0.78 | KIF11 (0.46) | ALDH1A1HPGDTSHRKIF11RAB9A | |
| SCHEMBL29141880 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL29141867 | 0.76 | TAS2R14 (0.41) | ALDH1A1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL25060874 | 0.76 | HSP90AA1 (0.43) | ALDH1A1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL28404994 | 0.76 | ALOX5AP (0.36) | ALDH1A1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL29141857 | 0.75 | ALDH1A1 (0.38) | ALDH1A1MAPTKDM4EL3MBTL1GAA | |
| SCHEMBL28294522 | 0.75 | KIF11 (0.46) | ALDH1A1HPGDTSHRKIF11RAB9A | |
| SCHEMBL23590192 | 0.74 | CYP3A4 (0.37) | ALDH1A1MAPTKDM4EL3MBTL1GAA |
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-111417644-B | Hydrogenation of carbonyl groups using tetradentate PNNP ligand ruthenium complexes | 弗门尼舍有限公司 | 2024-06-14 | — | — | CN | disclosed |