Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5726832 | 0.92 | AOC3 (0.41) | HTTKDM4E | |
| SCHEMBL301347 | 0.88 | LMNA (0.44) | KDM4ESLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL246459 | 0.88 | LMNA (0.44) | KDM4ESLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL19329845 | 0.83 | SLC6A4 (0.46) | EPHX1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL19346524 | 0.83 | SLC6A4 (0.46) | EPHX1SLC6A4SLC6A2SLC6A3CYP3A4 | |
| SCHEMBL17802378 | 0.81 | TSHR (0.48) | KDM4ESLC6A4SLC6A2LMNANPSR1 | |
| SCHEMBL17802370 | 0.81 | HTR2A (0.50) | EPHX1SLC6A4SLC6A2CYP19A1CNR2 | |
| SCHEMBL28028823 | 0.79 | CACNA2D1 (0.44) | HTTKDM4EEPHX1CYP19A1ALDH1A1 | |
| SCHEMBL11634860 | 0.79 | HTR2A (0.48) | SLC6A4SLC6A2ALDH1A1SLC6A3MEN1 | |
| SCHEMBL11636727 | 0.79 | SLC6A2 (0.61) | SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6 |
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-2016088138-A1 | DIPHENYLOXIRANES, PROCESS FOR PREPARATION THEREOF, AND ITS USE IN AN ENANTIOSELECTIVE SYNTHESIS OF (+)-SERTRALINE | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2016-06-09 | — | — | WO | disclosed |