Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL11606150 | 0.86 | CYP3A4 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27994399 | 0.79 | CYP3A4 (0.34) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL535657 | 0.79 | GABRA1 (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4419612 | 0.79 | GABRA1 (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1741996 | 0.79 | GABRA1 (0.41) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14803860 | 0.78 | GABRA1 (0.41) | CYP3A4SLC6A2GABRA1GABRB2MEN1 | |
| SCHEMBL4088437 | 0.77 | TAAR1 (0.33) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11050837 | 0.75 | CYP2D6 (0.36) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11601054 | 0.75 | ADRA2C (0.45) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL251914 | 0.75 | CYP3A4 (0.42) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 |
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-2010012812-A1 | BENZAZEPINES AND BENZAZOCINES AS SIGMA-RECEPTOR LIGANDES | Westfälische Wilhelms Universität Münster (DE) | 2010-02-04 | — | — | WO | disclosed |