Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.66 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.66 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 6/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 5/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.38 |
| ▸ | GSK3A | P49840 | 4/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PTGES | O14684 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.36 |
| ▸ | CDK1 | P06493 | 4/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.36 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29094069 | 0.80 | CCR6 (1.00) | CCR6HKDC1LMNAHPGDMAOA | |
| SCHEMBL6095647 | 0.77 | CCR6 (0.69) | CCR6HKDC1GSK3BCDK5CDK5R1 | |
| SCHEMBL29094073 | 0.75 | CCR6 (0.66) | CCR6HKDC1LMNAHPGDMEN1 | |
| SCHEMBL29094076 | 0.74 | HKDC1 (0.64) | CCR6HKDC1LMNAHPGDKDM4E | |
| SCHEMBL29094062 | 0.72 | CCR6 (0.62) | CCR6HKDC1CDK4CCND1CCNB2 | |
| SCHEMBL3290538 | 0.70 | CCR6 (0.37) | CCR6HKDC1LMNAHPGDMAOA | |
| SCHEMBL29094067 | 0.69 | CCR6 (0.65) | CCR6HKDC1GSK3BCDK5CDK5R1 | |
| SCHEMBL24575989 | 0.68 | AHR (0.52) | METAP2LMNAHPGDKDM4EMEN1 | |
| SCHEMBL25834302 | 0.68 | HSD17B3 (0.67) | HPGDMAOAMAOBKDM4EMEN1 | |
| SCHEMBL24576377 | 0.66 | TP53 (0.42) | METAP2LMNAHPGDMEN1MAPT |
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 |