Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.50 |
| ▸ | CCR5 | P51681 | 1/20 | 0.50 |
| ▸ | CCR8 | P51685 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL21228267 | 1.00 | CCR1 (0.50) | CCR1CCR5CCR8HDAC6 | |
| SCHEMBL23954402 | 0.78 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6 | |
| SCHEMBL1458858 | 0.76 | KDM4E (0.55) | — | |
| SCHEMBL12460344 | 0.74 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6 | |
| SCHEMBL9629237 | 0.74 | ALOX5 (0.62) | — | |
| SCHEMBL14606737 | 0.74 | CCR1 (0.52) | CCR1CCR5CCR8HDAC6 | |
| SCHEMBL22591662 | 0.73 | — | — | |
| SCHEMBL23954413 | 0.72 | CCR1 (0.50) | CCR1CCR5CCR8HDAC6 | |
| SCHEMBL11426677 | 0.71 | RAB9A (0.60) | CCR1CCR5CCR8HDAC6 | |
| Pyridine SCHEMBL9823801 | 0.71 | KDM4E (0.54) | — |
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-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |