Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.53 |
| ▸ | CCR5 | P51681 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1778289 | 1.00 | CCR2 (0.53) | CCR2CCR5KCNH2CYP1A2USP2 | |
| SCHEMBL1781132 | 0.89 | CCR2 (0.54) | CCR2CCR5KCNH2CYP1A2MAPK1 | |
| SCHEMBL28776156 | 0.88 | CCR2 (0.59) | CCR2CCR5KCNH2SMN1; SMN2DPP4 | |
| SCHEMBL1779318 | 0.88 | CCR2 (0.59) | CCR2CCR5KCNH2SMN1; SMN2DPP4 | |
| SCHEMBL1777343 | 0.88 | CCR2 (0.55) | CCR2CCR5KCNH2USP2MAPK1 | |
| SCHEMBL27741680 | 0.88 | CCR2 (0.55) | CCR2CCR5KCNH2USP2MAPK1 | |
| SCHEMBL1778136 | 0.88 | CCR2 (0.53) | CCR2CCR5KCNH2CYP1A2 | |
| SCHEMBL1779272 | 0.88 | CCR2 (0.51) | CCR2CCR5KCNH2SMN1; SMN2HRH3 | |
| SCHEMBL1778328 | 0.86 | CCR2 (0.52) | CCR2CCR5KCNH2CYP1A2USP2 | |
| SCHEMBL1778450 | 0.86 | CCR2 (0.52) | CCR2CCR5KCNH2CYP1A2USP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101384582-A | Piperazine compounds useful as antagonists of C-C chemokines (CCR2B and CCR5) for the treatment of inflammatory diseases | ASTRAZENECA AB (SE) | 2009-03-11 | — | — | CN | disclosed |
| EP-1966187-A1 | PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES | AstraZeneca AB (SE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007071952-A1 | PIPERAZINE COMPOUNDS USEFUL AS ANTAGONISTS OF C-C CHEMOKINES (CCR2B AND CCR5) FOR THE TREATMENT OF INFLAMMATORY DISEASES | ASTRAZENECA AB (SE) | 2007-06-28 | — | — | WO | disclosed |