Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CCR8 | P51685 | 2/20 | 0.46 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.44 |
| ▸ | YTHDF2 | Q9Y5A9 | 1/20 | 0.44 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.37 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25917562 | 0.76 | CCNB2 (0.42) | CCR1CCR5CCR8PSMD14COPS5 | |
| SCHEMBL12203219 | 0.75 | CCR1 (0.65) | CCR1CCR5CCR8PSMD14COPS5 | |
| SCHEMBL23486189 | 0.68 | CHEK1 (0.42) | YTHDC1YTHDF2LRRK2CHEK1 | |
| SCHEMBL15074585 | 0.68 | HSP90AA1 (0.43) | CCR1CCR5CCR8PSMD14COPS5 | |
| SCHEMBL24122178 | 0.68 | ADORA2A (0.42) | CCR1CCR5CCR8YTHDC1YTHDF2 | |
| SCHEMBL24122165 | 0.68 | CCR1 (0.45) | CCR1CCR5CCR8PSMD14COPS5 | |
| SCHEMBL3156717 | 0.67 | CCR1 (0.54) | CCR1CCR5CCR8PSMD14COPS5 | |
| SCHEMBL11804205 | 0.67 | CCR1 (0.54) | CCR1CCR5CCR8PSMD14COPS5 | |
| SCHEMBL16421707 | 0.67 | YTHDC1 (0.60) | YTHDC1YTHDF2CHEK1 | |
| SCHEMBL24122131 | 0.65 | YTHDC1 (0.36) | YTHDC1YTHDF2CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021254493-A1 | CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF | 上海翊石医药科技有限公司 | 2021-12-23 | — | — | WO | disclosed |