Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | CCR8 | P51685 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12622282 | 0.80 | CCR1 (0.71) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL20390545 | 0.77 | CCR1 (0.50) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL12628191 | 0.72 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL12628177 | 0.72 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL12628200 | 0.71 | CCR1 (0.70) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL12628224 | 0.69 | CCR1 (0.54) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL12628229 | 0.69 | KDM4E (0.67) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL6942143 | 0.69 | CYP2A6 (0.37) | CYP3A4CYP2A6 | |
| SCHEMBL17051506 | 0.68 | CCR1 (0.71) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL26721041 | 0.68 | CCR1 (0.71) | CCR1CCR5CCR8HDAC6NOS3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349857-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055521-A1 | PURINE DERIVATIVES AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |