Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 15/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 15/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL754688 | 0.82 | KDM1A (0.34) | — | |
| SCHEMBL19051913 | 0.80 | SLC6A3 (0.40) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL19051914 | 0.78 | SLC6A4 (0.52) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL19980910 | 0.77 | SLC6A4 (0.42) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL28732004 | 0.74 | ESR2 (0.49) | ESR1OPRM1 | |
| SCHEMBL15335800 | 0.70 | SLC6A2 (0.70) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| Methyl Alcohol SCHEMBL9580463 | 0.69 | SLC6A2 (0.41) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL5903022 | 0.69 | SLC6A3 (0.39) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL21586875 | 0.69 | SLC6A2 (0.46) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 | |
| SCHEMBL4331978 | 0.69 | SLC6A2 (0.68) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 |
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-2008151156-A1 | PHENYL SUBSTITUTED CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2008-12-11 | — | — | WO | disclosed |