Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.42 |
| ▸ | GCGR | P47871 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.33 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PDE6D | O43924 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL2221508 | 0.79 | GCGR (0.41) | GCGRRECQLTSPOALDH1A1 | |
| SCHEMBL2222001 | 0.75 | HMGCR (0.54) | ABCC3ABCC4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL2222044 | 0.75 | PTGS2 (0.38) | PTGS2GCGRRECQLTSPOABCC3 | |
| SCHEMBL778955 | 0.65 | EGFR (0.47) | HTR2AALDH1A1 | |
| SCHEMBL28301018 | 0.64 | GCGR (0.41) | GCGRHMGCR | |
| SCHEMBL8199366 | 0.64 | ALDH1A1 (0.44) | PTGS2GCGRALDH1A1 | |
| SCHEMBL10153184 | 0.63 | GCGR (0.43) | GCGR | |
| SCHEMBL29038363 | 0.62 | GCGR (0.55) | PTGS2GCGRPTGS1ALDH1A1CYP3A4 | |
| SCHEMBL14248583 | 0.62 | GCGR (0.43) | GCGRALDH1A1 | |
| SCHEMBL28300691 | 0.62 | PTGS2 (0.42) | PTGS2GCGRPTGS1ALDH1A1CYP3A4 |
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-2011083495-A2 | PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS | MSN LABORATORIES LIMITED (IN) | 2011-07-14 | — | — | WO | claimed |