Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 3/20 | 0.56 |
| ▸ | CCR5 | P51681 | 3/20 | 0.56 |
| ▸ | CCR8 | P51685 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | ALPG | P10696 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.49 |
| ▸ | METAP1 | P53582 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL10031177 | 0.90 | CCR1 (0.63) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL30242155 | 0.88 | KDM4E (0.53) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL30242164 | 0.88 | KDM4E (0.53) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL30242162 | 0.88 | KDM4E (0.53) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL28980174 | 0.86 | KDM4E (0.55) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL22761537 | 0.85 | CCR1 (0.58) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL6551807 | 0.84 | KDM4E (0.54) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL17932329 | 0.83 | DHODH (0.46) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL15835177 | 0.83 | DHODH (0.50) | CCR1CCR5CCR8KDM4ELMNA | |
| SCHEMBL972054 | 0.83 | CCR1 (0.51) | CCR1CCR5CCR8KDM4ELMNA |
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-115925617-B | Deuterated ruthenium complex, preparation method thereof and application thereof in photocatalysis anti-tumor | 中山大学·深圳 | 2024-10-22 | — | — | CN | claimed |