Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22921094 | 0.94 | MAPK1 (0.39) | MAPK1HPGDPDE4ALMNAALDH1A1 | |
| SCHEMBL22921097 | 0.86 | MAPK1 (0.44) | MAPK1HPGDPDE4ALMNAALDH1A1 | |
| SCHEMBL22921149 | 0.82 | POLB (0.33) | HPGDALDH1A1KDM4EHSD17B10MEN1 | |
| SCHEMBL22921161 | 0.79 | TPMT (0.31) | — | |
| SCHEMBL22921151 | 0.72 | TPMT (0.35) | HPGDLMNAMEN1GAAKMT2A | |
| SCHEMBL23444591 | 0.70 | PPARA (0.39) | ALDH1A1CYP1A2KDM4EMEN1KMT2A | |
| SCHEMBL23445208 | 0.65 | CA12 (0.43) | HPGDLMNAALDH1A1KDM4EMAPT | |
| SCHEMBL22921087 | 0.64 | DRD2 (0.37) | — | |
| SCHEMBL22921085 | 0.60 | NR3C1 (0.39) | LMNAALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL23444611 | 0.60 | HTR2A (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021012478-A1 | HYDROGENATION ANNULE [12] AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR | 清华大学 | 2021-01-28 | — | — | WO | disclosed |