Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR1 | P25024 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18862374 | 0.85 | CXCR2 (0.32) | CXCR1CXCR2RPS6KB1 | |
| SCHEMBL26952913 | 0.85 | CXCR2 (0.32) | CXCR1CXCR2RPS6KB1 | |
| SCHEMBL17041593 | 0.85 | CXCR2 (0.32) | CXCR1CXCR2RPS6KB1 | |
| SCHEMBL26952925 | 0.85 | CXCR2 (0.32) | CXCR1CXCR2RPS6KB1 | |
| SCHEMBL21509844 | 0.85 | ROCK1 (0.39) | SLC6A4CYP26A1HDAC4HDAC7HDAC5 | |
| SCHEMBL21509845 | 0.84 | SMN1; SMN2 (0.34) | SLC6A4CYP26A1HDAC4HDAC7HDAC5 | |
| SCHEMBL8036545 | 0.83 | PNMT (0.41) | SLC6A4SLC6A2 | |
| SCHEMBL23560939 | 0.83 | SLC6A4 (0.36) | SLC6A4AOC3SLC6A2TAAR1 | |
| SCHEMBL22467357 | 0.83 | ALDH1A1 (0.38) | SLC6A4SLC6A2TAAR1CA12CA1 | |
| SCHEMBL21259673 | 0.83 | SLC6A4 (0.36) | SLC6A4AOC3SLC6A2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009083526-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-07-09 | — | — | WO | disclosed |