Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.66 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTR6 | P50406 | 5/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.44 |
| ▸ | CDC25C | P30307 | 1/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6095647 | 0.86 | CCR6 (0.69) | CCR6HKDC1LMNAGAAHPGD | |
| SCHEMBL29094076 | 0.82 | HKDC1 (0.64) | CCR6HKDC1LMNAHPGDHTR6 | |
| SCHEMBL29094069 | 0.80 | CCR6 (1.00) | CCR6HKDC1LMNACYP1A2GAA | |
| SCHEMBL29094064 | 0.75 | CCR6 (0.66) | CCR6HKDC1LMNAHPGDHTR6 | |
| SCHEMBL6094704 | 0.73 | LMNA (0.46) | LMNAMAP3K14CYP1A2GAAHPGD | |
| SCHEMBL7230887 | 0.71 | LMNA (0.50) | LMNAMAP3K14CYP1A2GAAHPGD | |
| SCHEMBL27721368 | 0.71 | PTPN11 (0.56) | MAP3K14PTPN11CYP1A2HTR6HTR7 | |
| SCHEMBL6094945 | 0.71 | MAP3K14 (0.44) | LMNAMAP3K14CYP1A2GAAHPGD | |
| SCHEMBL9269177 | 0.70 | MAP2 (0.62) | CYP1A2HPGDHTR6HTR7MAPT | |
| SCHEMBL29094067 | 0.69 | CCR6 (0.65) | CCR6HKDC1LMNAGAAHPGD |
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-116924960-A | Method for synthesizing 3-indolyl benzoquinone compound | 郑州大学 | 2023-10-24 | — | — | CN | disclosed |