Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL30023141 | 1.00 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1GLAPDK2MAPT | |
| SCHEMBL9181053 | 0.87 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1GLAMAPTNPSR1 | |
| SCHEMBL30707397 | 0.87 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1GLAMAPTNPSR1 | |
| SCHEMBL14467009 | 0.87 | MCHR1 (0.38) | L3MBTL1MAPTDRD1TDP1CYP3A4 | |
| SCHEMBL30171081 | 0.85 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1GLAMAPTNPSR1 | |
| SCHEMBL1833246 | 0.84 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1GLAMAPTNPSR1 | |
| SCHEMBL1752346 | 0.81 | MAPT (0.51) | L3MBTL1MAPTTDP1HTR1AADRA1D | |
| SCHEMBL301296 | 0.80 | CA1 (0.44) | ALDH1A1L3MBTL1MAPTDRD1TDP1 | |
| SCHEMBL29407955 | 0.80 | CA1 (0.44) | ALDH1A1L3MBTL1MAPTDRD1TDP1 | |
| SCHEMBL29430119 | 0.80 | CA1 (0.44) | ALDH1A1L3MBTL1MAPTDRD1TDP1 |
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-8623621-B2 | Method for producing optically active 2-methyl-alkanols | BASF SE (DE) | 2014-01-07 | — | — | US | disclosed |