Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | CSF1R | P07333 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | LTK | P29376 | 1/20 | 0.46 |
| ▸ | GRK5 | P34947 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.46 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7363078 | 0.86 | ESR2 (0.63) | ESR2ADRA1ASLC18A3SIGMAR1GRIN2B | |
| SCHEMBL6874305 | 0.81 | MAPT (0.54) | GAAMAPTMAPK1SLC18A3SIGMAR1 | |
| SCHEMBL10694229 | 0.79 | ESR2 (0.50) | ESR2ADRA1AMAPTLMNAPOLB | |
| SCHEMBL23718307 | 0.79 | ESR2 (0.50) | ESR2GAAMAPT | |
| SCHEMBL23378636 | 0.77 | ESR2 (0.37) | ESR2DAPK3JAK2CSF1RRET | |
| SCHEMBL21954837 | 0.75 | MAPT (0.44) | DAPK3JAK2CSF1RRETPRKACA | |
| SCHEMBL4790634 | 0.74 | GRIN2B (0.59) | DAPK3JAK2CSF1RRETPRKACA | |
| SCHEMBL568689 | 0.74 | GAA (0.63) | ESR2DAPK3JAK2CSF1RRET | |
| SCHEMBL4864740 | 0.74 | GAA (0.63) | ESR2DAPK3JAK2CSF1RRET | |
| SCHEMBL29683570 | 0.74 | GRIN2B (0.59) | DAPK3JAK2CSF1RRETPRKACA |
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 |
|---|---|---|---|---|---|---|---|
| US-6538002-B1 | In particular, these compounds are useful as modulators of the chemokine receptors CCR-5 and/or CCR-3. as antiinflammatory agents | MERCK & CO., INC. | 2003-03-25 | — | — | US | disclosed |
| WO-2000076511-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |