Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9860366 | 0.80 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| 1-Allyloxy-2-Ethoxybenzene SCHEMBL11755537 | 0.76 | HPGD (0.51) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL10665869 | 0.75 | GAA (0.42) | ALDH1A1MAPTHPGDHSD17B10KDM4E | |
| SCHEMBL7994457 | 0.75 | NQO1 (0.52) | ALDH1A1MAPTTDP1KDM4E | |
| 1,2-Diethoxybenzene SCHEMBL578986 | 0.74 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| 1,2-Diethoxybenzene SCHEMBL29428929 | 0.74 | ALDH1A1 (0.68) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL28028354 | 0.74 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL28443839 | 0.73 | THRB (0.57) | — | |
| SCHEMBL2096024 | 0.72 | L3MBTL1 (0.53) | ALDH1A1L3MBTL1MAPTNPSR1GLA | |
| SCHEMBL5178753 | 0.70 | LTA4H (0.40) | ALDH1A1L3MBTL1GLATDP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6291540-B1 | IODONIUM SALT WITH LOW TOXICITY; E.G., (CH(CH3)2-C6H4)2-I+ | RHODIA CHIMIE (FR) | 2001-09-18 | — | — | US | disclosed |