Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22169640 | 0.89 | OPRM1 (0.37) | DRD2OPRM1DRD3LTA4HPTGS2 | |
| SCHEMBL19631833 | 0.85 | SIGMAR1 (0.41) | OPRM1ALDH1A1KDM4ESIGMAR1SMN1; SMN2 | |
| SCHEMBL22169613 | 0.83 | DRD2 (0.35) | DRD2OPRM1DRD3ALDH1A1KDM4E | |
| SCHEMBL22169548 | 0.81 | SIGMAR1 (0.40) | OPRM1ALDH1A1SIGMAR1TSHRSMN1; SMN2 | |
| SCHEMBL19632148 | 0.79 | SLC6A4 (0.35) | DRD2OPRM1LTA4HPTGS2GAA | |
| SCHEMBL19632060 | 0.77 | HTR1A (0.40) | DRD2OPRM1DRD3GAAKDM4E | |
| SCHEMBL21233604 | 0.74 | CHRM2 (0.41) | DRD2KCNA5OPRM1DRD3ALDH1A1 | |
| SCHEMBL19631835 | 0.71 | LMNA (0.35) | OPRM1ALDH1A1KDM4ESIGMAR1HTT | |
| SCHEMBL20482028 | 0.70 | ALDH1A1 (0.39) | DRD2KCNA5DRD3ALDH1A1SIGMAR1 | |
| SCHEMBL19631794 | 0.69 | OPRM1 (0.39) | DRD2OPRM1DRD3SIGMAR1 |
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-2017198339-A1 | TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-23 | — | — | WO | disclosed |