Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL11319952 | 0.88 | CYP2C19 (0.36) | APPEPHX2CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL7722290 | 0.85 | BBOX1 (0.32) | EPHX2 | |
| Water SCHEMBL170463 | 0.84 | BBOX1 (0.31) | EPHX2 | |
| SCHEMBL12531321 | 0.82 | EPHX2 (0.40) | APPEPHX2CYP2C19PAOXMAOA | |
| Glycinebetaine SCHEMBL5166113 | 0.81 | — | — | |
| SCHEMBL8051029 | 0.80 | TSHR (0.43) | CYP2C19CYP1A2CYP2C9TSHRPAOX | |
| SCHEMBL8726408 | 0.78 | APP (0.35) | APPEPHX2 | |
| SCHEMBL30298818 | 0.78 | PAOX (0.39) | APPEPHX2TSHRPAOXMAOA | |
| SCHEMBL918312 | 0.78 | APP (0.50) | APPEPHX2CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL17266136 | 0.76 | APP (0.44) | APPEPHX2CYP2C19MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2753290-B1 | DENTAL MATERIALS ON THE BASIS OF MONOMERS WITH DEBONDING ON DEMAND PROPERTIES | IVOCLAR VIVADENT AG (LI) | 2019-06-12 | — | — | EP | claimed |