Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL13172392 | 0.80 | HDAC4 (0.50) | CES2CES1HDAC4HDAC7HDAC5 | |
| SCHEMBL9558442 | 0.80 | CES2 (0.45) | CES2CES1MDM2SLC6A3CA12 | |
| SCHEMBL10441312 | 0.80 | CES2 (0.45) | CES2CES1MDM2SLC6A3CA12 | |
| SCHEMBL7287698 | 0.78 | CES2 (0.44) | CES2CES1MDM2CA12CA1 | |
| SCHEMBL1511329 | 0.78 | HDAC3 (0.44) | CES2CES1CA1HDAC4HDAC7 | |
| SCHEMBL14537114 | 0.76 | CES2 (0.61) | CES2CES1MDM2SLC6A3CA12 | |
| SCHEMBL8313497 | 0.76 | CES2 (0.61) | CES2CES1MDM2SLC6A3CA12 | |
| SCHEMBL1398788 | 0.75 | CES2 (0.38) | CES2CES1MDM2SLC6A3HDAC4 | |
| SCHEMBL2554137 | 0.74 | CES2 (0.47) | CES2CES1SLC6A3BRD4 | |
| SCHEMBL28550048 | 0.74 | APP (0.41) | CES2CES1MDM2SLC6A3 |
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-1761491-A1 | NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 | AstraZeneca AB (SE) | 2007-03-14 | — | — | EP | disclosed |
| WO-2006001752-A1 | NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 | ASTRAZENECA AB (SE) | 2006-01-05 | — | — | WO | disclosed |