Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.57 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 4/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15338637 | 0.84 | HSD17B10 (0.41) | CA1FDPSCA2NFKB1 | |
| SCHEMBL122044 | 0.82 | CA1 (0.61) | CA1ACE2TP53OPRM1FDPS | |
| SCHEMBL1827755 | 0.82 | CA1 (0.61) | CA1ACE2TP53OPRM1FDPS | |
| SCHEMBL1827758 | 0.82 | CA1 (0.61) | CA1ACE2TP53OPRM1FDPS | |
| SCHEMBL7370718 | 0.81 | LTA4H (0.44) | CA1ACE2TP53FFAR1FFAR4 | |
| SCHEMBL23857835 | 0.80 | CA1 (0.59) | CA1ACE2TP53OPRM1FDPS | |
| SCHEMBL277898 | 0.80 | CA1 (0.59) | CA1ACE2TP53OPRM1FDPS | |
| SCHEMBL2348891 | 0.80 | CA1 (0.59) | CA1ACE2TP53OPRM1FDPS | |
| SCHEMBL10866301 | 0.80 | CA1 (0.59) | CA1ACE2TP53OPRM1FDPS | |
| SCHEMBL10935964 | 0.80 | CA1 (0.59) | CA1ACE2TP53OPRM1FDPS |
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-2009117831-A1 | HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2009-10-01 | — | — | WO | disclosed |