Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HKDC1 | Q2TB90 | 2/20 | 0.64 |
| ▸ | CCR6 | P51684 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | HTR6 | P50406 | 3/20 | 0.49 |
| ▸ | GFER | P55789 | 2/20 | 0.49 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
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 | 0.85 | CCR6 (0.69) | HKDC1CCR6KDM4EMAPTRAB9A | |
| SCHEMBL29094073 | 0.82 | CCR6 (0.66) | HKDC1CCR6MAPTRAB9AALDH1A1 | |
| SCHEMBL29094069 | 0.79 | CCR6 (1.00) | HKDC1CCR6KDM4EMAPTRAB9A | |
| SCHEMBL29094064 | 0.74 | CCR6 (0.66) | HKDC1CCR6KDM4EMAPTMCL1 | |
| SCHEMBL7234412 | 0.74 | ALDH1A1 (0.51) | KDM4EMAPTALDH1A1HPGDMEN1 | |
| SCHEMBL6096397 | 0.74 | ALDH1A1 (0.46) | KDM4EMAPTALDH1A1HPGDMEN1 | |
| SCHEMBL6098106 | 0.74 | ALDH1A1 (0.45) | HKDC1KDM4EMAPTMCL1PKM | |
| SCHEMBL18019742 | 0.73 | ALDH1A1 (0.57) | KDM4EMAPTMCL1RAB9AALDH1A1 | |
| SCHEMBL4374342 | 0.71 | ALDH1A1 (0.68) | KDM4EMAPTMCL1RAB9AALDH1A1 | |
| SCHEMBL1720491 | 0.69 | MEN1 (0.57) | KDM4EMAPTMCL1ALDH1A1HPGD |
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 |