Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28008997 | 0.89 | TP53 (0.69) | TP53KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL9321137 | 0.88 | TP53 (0.72) | TP53KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL23709865 | 0.86 | ALDH1A1 (0.64) | TP53KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL18969121 | 0.85 | KDM4E (0.73) | TP53KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL10005374 | 0.85 | TLR8 (0.71) | TP53KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL4937201 | 0.85 | DRD2 (0.53) | TP53KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL13784139 | 0.83 | TP53 (0.62) | TP53KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL981905 | 0.82 | KDM4E (0.55) | KDM4EALDH1A1GAANPSR1LMNA | |
| SCHEMBL11332825 | 0.81 | KDM4E (0.71) | TP53KDM4EALDH1A1GAANPSR1 | |
| SCHEMBL13668125 | 0.81 | DRD2 (0.48) | TP53KDM4EALDH1A1GAANPSR1 |
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-108299413-A | A method of no metal catalytic prepares 2- (aminocarbonyl phenyl) benzoxazoles and its derivative | 复旦大学 | 2018-07-20 | — | — | CN | disclosed |