Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 5/20 | 0.53 |
| ▸ | CCR5 | P51681 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1778562 | 1.00 | CCR2 (0.53) | CCR2CCR5KCNH2ADAM10MMP2 | |
| SCHEMBL1776803 | 0.89 | CCR2 (0.58) | CCR2CCR5KCNH2CA12CA1 | |
| SCHEMBL27741686 | 0.89 | CCR2 (0.58) | CCR2CCR5KCNH2CA12CA1 | |
| SCHEMBL27741680 | 0.88 | CCR2 (0.55) | CCR2CCR5KCNH2ALDH1A1MAPT | |
| SCHEMBL1777343 | 0.88 | CCR2 (0.55) | CCR2CCR5KCNH2ALDH1A1MAPT | |
| SCHEMBL1781132 | 0.86 | CCR2 (0.54) | CCR2CCR5KCNH2ADRB1ALDH1A1 | |
| SCHEMBL1778821 | 0.86 | CCR2 (0.54) | CCR2CCR5KCNH2ADRB1ALDH1A1 | |
| SCHEMBL27741829 | 0.85 | CCR2 (0.50) | CCR2CCR5KCNH2ADAM10MAPK1 | |
| SCHEMBL1779098 | 0.85 | POLB (0.56) | CCR2CCR5KCNH2ALDH1A1MAPT | |
| SCHEMBL1777769 | 0.83 | CCR2 (0.70) | CCR2CCR5KCNH2ALDH1A1MAPT |
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-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 |