Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | OGT | O15294 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19418061 | 0.84 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL9291009 | 0.81 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL8071564 | 0.80 | CA1 (0.44) | ALDH1A1L3MBTL1GAATDP1TP53 | |
| SCHEMBL15943564 | 0.78 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL10825705 | 0.78 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL11525562 | 0.75 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL10960699 | 0.74 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL30607753 | 0.74 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL2863207 | 0.74 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL7880666 | 0.72 | L3MBTL1 (0.46) | ALDH1A1L3MBTL1MAPTGLALMNA |
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-104211733-B | Benzene ethylene diazene six molybdic acid TBuA and the preparation method of derivative thereof and application | 清华大学 | 2016-08-24 | — | — | CN | disclosed |