Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.35 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL687274 | 0.84 | KDM4E (0.40) | CCR6PAX8ABCB1MAPK1CYP3A4 | |
| SCHEMBL26291267 | 0.75 | ALDH1A1 (0.50) | CCR6PAX8ALDH1A1ABCB1MAPK1 | |
| SCHEMBL25449194 | 0.74 | CCR6 (0.46) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL12023054 | 0.73 | CCR6 (0.47) | CCR6PAX8ALDH1A1ABCB1MAPK1 | |
| SCHEMBL3083608 | 0.73 | CCR6 (0.58) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| Carbamic Acid SCHEMBL25282587 | 0.72 | CCR6 (0.55) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL21012224 | 0.71 | CCR6 (0.46) | CCR6PAX8ALDH1A1ABCB1MAPK1 | |
| SCHEMBL18594775 | 0.70 | CCR6 (0.52) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL14476880 | 0.70 | CCR6 (0.63) | CCR6PAX8ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL25449183 | 0.70 | CCR6 (0.47) | CCR6PAX8ALDH1A1ABCB1MAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1667966-B1 | N-ALKYLATED DIAMINOPROPANE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2012-02-29 | — | — | EP | disclosed |