Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | TACR2 | P21452 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25653950 | 0.84 | SKP2 (0.38) | HPGDNPC1MAPK1HTTRAB9A | |
| SCHEMBL18067893 | 0.80 | PTGS2 (0.46) | PTGS2CYP3A4ALDH1A1HSD17B10GPR84 | |
| SCHEMBL27740037 | 0.77 | HPGD (0.45) | HPGDNPC1MAPK1HTTRAB9A | |
| SCHEMBL27054656 | 0.75 | CNR1 (0.31) | — | |
| SCHEMBL8824490 | 0.73 | TNKS2 (0.37) | HPGDNPC1MAPK1HTTRAB9A | |
| SCHEMBL25907674 | 0.72 | MAPT (0.38) | HPGDNPC1MAPK1HTTRAB9A | |
| SCHEMBL22751063 | 0.72 | HPGD (0.37) | HPGDNPC1MAPK1HTTRAB9A | |
| SCHEMBL9768921 | 0.71 | PTGS2 (0.45) | PTGS2CYP3A4ALDH1A1HSD17B10GPR84 | |
| SCHEMBL9768927 | 0.71 | PTGS2 (0.45) | HPGDNPC1MAPK1HTTRAB9A | |
| SCHEMBL25706166 | 0.71 | PTGS2 (0.48) | PTGS2CYP3A4ALDH1A1HSD17B10GPR84 |
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-7671212-B2 | Isothiazole dioxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-03-02 | — | — | US | disclosed |
| US-7671212-B2 | Isothiazole dioxides as CXC- and CC-chemokine receptor ligands | SCHERING CORPORATION (US) | 2010-03-02 | — | — | US | disclosed |