Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL6562710 | 0.83 | MLNR (0.44) | LTA4HPCSK9MLNRNR1I2ESR1 | |
| Diphenylether SCHEMBL27753836 | 0.80 | LTA4H (0.69) | LTA4HMLNRNR1I2ESR1NR3C1 | |
| SCHEMBL28108485 | 0.79 | FDPS (0.47) | LTA4HPCSK9DRD2DRD3OPRK1 | |
| Anisole SCHEMBL27647858 | 0.78 | CA4 (0.56) | LTA4HMLNRNR1I2ESR1NR3C1 | |
| Methyl Alcohol SCHEMBL28136181 | 0.77 | CA4 (0.43) | LTA4HPCSK9ALDH1A1TSHRLMNA | |
| SCHEMBL28337059 | 0.77 | CA1 (0.46) | LTA4HPCSK9MAOAALDH1A1TSHR | |
| SCHEMBL78440 | 0.77 | CA1 (0.46) | LTA4HPCSK9MAOAALDH1A1TSHR | |
| Benzene SCHEMBL28134938 | 0.77 | CA1 (0.46) | LTA4HPCSK9MAOAALDH1A1TSHR | |
| SCHEMBL28102434 | 0.77 | CA1 (0.46) | LTA4HPCSK9MAOAALDH1A1TSHR | |
| SCHEMBL29261748 | 0.77 | NR5A1 (0.61) | LTA4HTSHRLMNA |
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-106008577-A | Succinimide ester containing phenylboric acid function group and preparation method thereof | 南开大学 | 2016-10-12 | — | — | CN | claimed |