Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | ERN1 | O75460 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 4/20 | 0.46 |
| ▸ | CCR8 | P51685 | 4/20 | 0.46 |
| ▸ | CCR5 | P51681 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11430231 | 0.82 | LMNA (0.56) | LMNACCR1CCR8CCR5TDP1 | |
| SCHEMBL28324949 | 0.82 | CCR1 (0.47) | LMNAERN1CCR1CCR8CCR5 | |
| SCHEMBL28264597 | 0.81 | ERN1 (0.46) | LMNAERN1CCR1CCR8CCR5 | |
| SCHEMBL28263607 | 0.81 | ERN1 (0.46) | LMNAERN1CCR1CCR8CCR5 | |
| SCHEMBL9945612 | 0.78 | LMNA (0.51) | LMNACCR1CCR8CCR5TDP1 | |
| SCHEMBL9944365 | 0.78 | LMNA (0.47) | LMNACCR1CCR8CCR5TDP1 | |
| SCHEMBL27936014 | 0.77 | CCR1 (0.53) | CCR1CCR8CCR5KDM4ESLC40A1 | |
| SCHEMBL28581006 | 0.74 | KDM4E (0.46) | LMNAERN1CCR1CCR8CCR5 | |
| SCHEMBL20669627 | 0.73 | ERN1 (0.65) | LMNAERN1CCR1CCR8CCR5 | |
| SCHEMBL27489489 | 0.73 | PARP1 (0.64) | LMNAERN1CCR1CCR8CCR5 |
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-103534238-B | Total synthesis of redox active 1, 4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistosomimetics | 国家科研中心 | 2018-01-02 | — | — | CN | disclosed |