Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | CCR2 | P41597 | 1/20 | 0.30 |
| ▸ | BTK | Q06187 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL6336364 | 0.77 | EPHX1 (0.39) | EPHX1SLC6A3FDPSSLC6A2SLC6A4 | |
| Pyrrolidine SCHEMBL15206059 | 0.77 | ALDH1A1 (0.33) | — | |
| Proline SCHEMBL4360663 | 0.77 | NOS2 (0.42) | BTKSCN9ASCN3ASCN5A | |
| SCHEMBL28812753 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL5142865 | 0.76 | SLC6A3 (0.31) | SLC6A3CCR2FDPSSLC6A2SLC6A4 | |
| Piperidine SCHEMBL1011879 | 0.76 | ALDH1A1 (0.38) | GAAHPGD | |
| Cyclopentanamine SCHEMBL27811088 | 0.76 | EPHX1 (0.38) | EPHX1GAAHPGDBTKCHRM2 | |
| SCHEMBL27945934 | 0.76 | ALDH1A1 (0.38) | GAAHPGD | |
| Pivalate SCHEMBL28395811 | 0.76 | CCR2 (0.38) | SLC6A3CCR2FDPSSLC6A2SLC6A4 | |
| SCHEMBL27896513 | 0.75 | NOS2 (0.36) | EPHX1CHRM2CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100448874-C | N-aroyl cyclic amines | SMITHKLINE BEECHAM PLC (GB) | 2009-01-07 | — | — | CN | disclosed |
| CN-1691944-A | Oxadiazoles as modulators of metabotropic glutamate receptor-5 | ASTRAZENECA AB (SE) | 2005-11-02 | — | — | CN | disclosed |
| CN-1633433-A | N-aroyl cyclic amines | SMITHKLINE BEECHAM PLC (GB) | 2005-06-29 | — | — | CN | disclosed |