Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | CCR8 | P51685 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LPL | P06858 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL539587 | 1.00 | CCR1 (0.36) | CCR1CCR5CCR8CYP2A6NOS3 | |
| SCHEMBL13144275 | 0.86 | CCR1 (0.33) | CCR1CCR5CCR8CYP2A6NOS3 | |
| SCHEMBL29953634 | 0.79 | CCR1 (0.34) | CCR1CCR5CCR8CYP2A6CA2 | |
| SCHEMBL29953567 | 0.79 | CCR1 (0.34) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL1181840 | 0.77 | NOS2 (0.56) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL22445373 | 0.77 | CCR1 (0.33) | CCR1CCR5CCR8CYP2A6CA2 | |
| SCHEMBL29911669 | 0.77 | FFAR1 (0.34) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL19549878 | 0.77 | FFAR1 (0.34) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL18921698 | 0.77 | FFAR1 (0.34) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL29956403 | 0.77 | FFAR1 (0.34) | CCR1CCR5CCR8NOS3NOS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111247119-B | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2023-02-03 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |