Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.53 |
| ▸ | CCR5 | P51681 | 2/20 | 0.53 |
| ▸ | CCR8 | P51685 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.41 |
| ▸ | COPS5 | Q92905 | 2/20 | 0.41 |
| ▸ | NFKBIA | P25963 | 1/20 | 0.36 |
| ▸ | SLC40A1 | Q9NP59 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.32 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.32 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.32 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.31 |
| ▸ | STAMBP | O95630 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13620452 | 0.83 | CCR1 (0.58) | CCR1CCR5CCR8PARP1KDM4E | |
| SCHEMBL28189404 | 0.77 | LMNA (0.51) | CCR1CCR5CCR8PARP1KDM4E | |
| SCHEMBL27925228 | 0.72 | CCR1 (0.45) | CCR1CCR5CCR8PARP1KDM4E | |
| SCHEMBL30492603 | 0.72 | CCR1 (1.00) | CCR1CCR5CCR8PARP1KDM4E | |
| SCHEMBL686948 | 0.72 | CCR1 (1.00) | CCR1CCR5CCR8PARP1KDM4E | |
| SCHEMBL862768 | 0.72 | CCR1 (0.73) | CCR1CCR5CCR8PARP1KDM4E | |
| SCHEMBL862480 | 0.71 | CCR1 (0.72) | CCR1CCR5CCR8PARP1KDM4E | |
| Quinmerac SCHEMBL29433226 | 0.71 | ALK (0.60) | CCR1CCR5CCR8PARP1KDM4E | |
| Quinmerac SCHEMBL8539662 | 0.71 | ALK (0.60) | CCR1CCR5CCR8PARP1KDM4E | |
| Quinmerac SCHEMBL29351452 | 0.71 | ALK (0.60) | CCR1CCR5CCR8PARP1KDM4E |
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 2 patents. 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 |
| CN-103534238-A | Total synthesis of redox active 1, 4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistosomimetics | CENTRE NAT RECH SCIENT | 2014-01-22 | — | — | CN | disclosed |