Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 6/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL21102625 | 1.00 | CACNA2D1 (0.42) | CACNA2D1GBA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21102742 | 0.87 | GBA1 (0.42) | CACNA2D1GBA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21051931 | 0.86 | CACNA2D1 (0.45) | CACNA2D1SLC6A2SLC6A4SLC6A3HTR1A | |
| Lithium Ion SCHEMBL21061319 | 0.85 | CACNA2D1 (0.40) | CACNA2D1GBA1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL21102738 | 0.84 | SLC6A9 (0.46) | SLC6A4 | |
| SCHEMBL21102739 | 0.84 | SLC6A9 (0.46) | SLC6A4 | |
| SCHEMBL21102741 | 0.84 | SLC6A9 (0.46) | SLC6A4 | |
| SCHEMBL20309012 | 0.80 | GBA1 (0.45) | GBA1SLC6A4HTR1AHTR2CKMT2A | |
| SCHEMBL29457634 | 0.80 | GBA1 (0.45) | GBA1SLC6A4HTR1AHTR2CKMT2A | |
| SCHEMBL29967173 | 0.80 | GBA1 (0.45) | GBA1SLC6A4HTR1AHTR2CKMT2A |
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-2019115008-A1 | DIALKYLAMINOARYLPIPERIDINYL-O-PHENOXY AND O-BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-06-20 | — | — | WO | disclosed |