Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3726325 | 0.94 | CYP2D6 (0.44) | CYP2D6CA1CA2CA4MAPT | |
| SCHEMBL4740930 | 0.93 | CYP2D6 (0.43) | CYP2D6CA1CA2CA4MAPT | |
| SCHEMBL1472064 | 0.91 | CYP2D6 (0.36) | CYP2D6ALDH1A1 | |
| SCHEMBL1767335 | 0.89 | CYP2D6 (0.37) | CYP2D6CA1CA2CA4MAPT | |
| SCHEMBL8032810 | 0.89 | CYP2D6 (0.37) | CYP2D6CA1CA2CA4MAPT | |
| SCHEMBL30636633 | 0.86 | CYP2D6 (0.41) | CYP2D6CA1CA2CA4KMT2A | |
| SCHEMBL13548376 | 0.86 | CYP2D6 (0.41) | CYP2D6CA1CA2CA4KMT2A | |
| SCHEMBL486895 | 0.84 | CYP2D6 (0.40) | CYP2D6CA1CA2CA4KMT2A | |
| SCHEMBL13104108 | 0.84 | CYP2D6 (0.44) | CYP2D6CA1CA2CA4MAPT | |
| SCHEMBL10453942 | 0.84 | CYP2D6 (0.44) | CYP2D6CA1CA2CA4MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2487150-B1 | PROCESS FOR PRODUCING A LACTONE | KAO CORP (JP) | 2016-12-28 | — | — | EP | disclosed |
| CN-102548944-B | Process for producing 2-alkylcycloalkanone | KAO CORP | 2014-12-10 | — | — | CN | disclosed |
| EP-2487150-A1 | PROCESS FOR PRODUCING 2-ALKYLCYCLOALKANONE | Kao Corporation (JP) | 2012-08-15 | — | — | EP | disclosed |