Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6314852 | 0.90 | GAA (0.42) | GAAMAPKAPK2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL6651618 | 0.85 | KCNH2 (0.49) | KDM4EGAACHRNB2CHRNA5CHRNA7 | |
| SCHEMBL6314845 | 0.82 | CHRNB2 (0.52) | KDM4EGAACHRNB2CHRNA5CHRNA7 | |
| SCHEMBL6316849 | 0.76 | LMNA (0.46) | KDM4EGAAMAPKAPK2CHRM2CHRM4 | |
| SCHEMBL6316646 | 0.75 | GAA (0.41) | KDM4EGAAMAPKAPK2CHRM2CHRM4 | |
| SCHEMBL6323679 | 0.75 | GAA (0.44) | KDM4EGAAMAPKAPK2CHRM2CHRM4 | |
| SCHEMBL6323062 | 0.74 | SPHK1 (0.44) | KDM4EGAAALDH1A1ALOX15MCHR1 | |
| SCHEMBL6323053 | 0.74 | SPHK1 (0.44) | KDM4EGAAALDH1A1ALOX15MCHR1 | |
| SCHEMBL6316727 | 0.72 | LTA4H (0.48) | KDM4EGAAALDH1A1LMNA | |
| SCHEMBL6316855 | 0.72 | HTT (0.53) | KDM4EALDH1A1KCNH2MCHR1LMNA |
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-1377549-A1 | FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR | Millennium Pharmaceuticals, Inc. (US) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002072549-A1 | FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-09-19 | — | — | WO | disclosed |