Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19632043 | 0.79 | DRD2 (0.36) | DRD2LTA4HPTGS2GAAOPRM1 | |
| SCHEMBL19631944 | 0.78 | GRM4 (0.37) | SLC6A4SLC6A3SLC6A2DRD2OPRM1 | |
| SCHEMBL22169640 | 0.78 | OPRM1 (0.37) | DRD2LTA4HPTGS2GAAOPRM1 | |
| SCHEMBL21233604 | 0.71 | CHRM2 (0.41) | DRD2OPRM1ALDH1A1IDH1 | |
| SCHEMBL19631833 | 0.71 | SIGMAR1 (0.41) | OPRM1SIGMAR1ALDH1A1 | |
| SCHEMBL19631794 | 0.70 | OPRM1 (0.39) | DRD2OPRM1SIGMAR1 | |
| SCHEMBL19631776 | 0.70 | OPRM1 (0.39) | DRD2OPRM1SIGMAR1 | |
| SCHEMBL19631779 | 0.70 | OPRM1 (0.39) | DRD2OPRM1SIGMAR1 | |
| SCHEMBL18425135 | 0.70 | OPRM1 (0.39) | SLC6A4SLC6A3SLC6A2DRD2OPRM1 | |
| SCHEMBL20482028 | 0.70 | ALDH1A1 (0.39) | DRD2SIGMAR1ALDH1A1IDH1 |
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 |