Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15121085 | 0.92 | ALDH1A1 (0.33) | POLBL3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL457840 | 0.79 | CYP3A4 (0.42) | POLBL3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL470702 | 0.72 | PTGS2 (0.38) | POLBPTGS2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15871649 | 0.72 | MEN1 (0.42) | POLBALDH1A1 | |
| SCHEMBL470704 | 0.71 | PTGS2 (0.36) | POLBPTGS2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL459755 | 0.66 | POLB (0.38) | POLBL3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL470717 | 0.65 | PTGS2 (0.40) | POLBPTGS2ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL10723623 | 0.63 | CA12 (0.46) | POLBALDH1A1 | |
| SCHEMBL18030236 | 0.61 | MEN1 (0.49) | POLBL3MBTL1ALDH1A1 | |
| SCHEMBL470718 | 0.60 | PTGS2 (0.36) | PTGS2ALDH1A1CYP1A2CYP3A4 |
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-2012031358-A1 | BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2012-03-15 | — | — | WO | disclosed |