Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | ALB | P02768 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL288003 | 0.82 | PTGS2 (0.63) | PTGS2CYP2C9CYP3A4CYP2C19APP | |
| SCHEMBL892055 | 0.82 | PTGS2 (0.63) | PTGS2CYP2C9CYP3A4CYP2C19APP | |
| SCHEMBL1345582 | 0.82 | PTGS2 (0.63) | PTGS2CYP2C9CYP3A4CYP2C19APP | |
| SCHEMBL9234136 | 0.80 | PTGS2 (0.61) | PTGS2CYP2C9CYP3A4CYP2C19APP | |
| Hydrochloric Acid SCHEMBL28716582 | 0.80 | PTGS2 (0.61) | PTGS2CYP2C9CYP3A4CYP2C19APP | |
| SCHEMBL9232475 | 0.80 | PTGS2 (0.61) | PTGS2CYP2C9CYP3A4CYP2C19APP | |
| SCHEMBL9232479 | 0.80 | PTGS2 (0.61) | PTGS2CYP2C9CYP3A4CYP2C19APP | |
| SCHEMBL1678786 | 0.77 | PTGS2 (0.74) | PTGS2CYP2C9CYP3A4CYP2C19APP | |
| SCHEMBL6790912 | 0.77 | CA12 (0.56) | PTGS2CYP2C9CYP3A4CYP2C19PTGS1 | |
| Butane SCHEMBL27363299 | 0.75 | PTGS2 (0.56) | PTGS2CYP2C9CYP3A4CYP2C19APP |
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-2011019020-A1 | MOLECULAR PROBE FOR IMAGING OF PANCREATIC ISLET AND PRECURSOR THEREOF, AND USE OF THE MOLECULAR PROBE OR THE PRECURSOR | 国立大学法人京都大学 (JP) | 2011-02-17 | — | — | WO | disclosed |