Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | DRD3 | P35462 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ATP4A | P20648 | 2/20 | 0.36 |
| ▸ | ATP4B | P51164 | 2/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11494251 | 0.99 | KCNH2 (0.42) | KCNH2SIGMAR1DRD2DRD3OPRM1 | |
| SCHEMBL11493367 | 0.96 | MEN1 (0.41) | KCNH2SIGMAR1DRD2DRD3OPRM1 | |
| SCHEMBL11487848 | 0.90 | DRD3 (0.37) | DRD2DRD3SCN1ASCN2ASCN3A | |
| SCHEMBL11488506 | 0.85 | SIGMAR1 (0.44) | SIGMAR1SCN1ASCN2ASCN3A | |
| SCHEMBL8679301 | 0.85 | PTPN1 (0.41) | MEN1KMT2ANPSR1PTPN1SOAT1 | |
| SCHEMBL30823643 | 0.85 | PTPN1 (0.41) | MEN1KMT2ANPSR1PTPN1SOAT1 | |
| SCHEMBL8683367 | 0.83 | SOAT1 (0.42) | MEN1KMT2ANPSR1PTPN1SOAT1 | |
| SCHEMBL8679272 | 0.83 | PTPN1 (0.39) | PTPN1SOAT1 | |
| SCHEMBL11487408 | 0.81 | HTR7 (0.37) | KCNH2OPRM1OPRD1OPRK1NPSR1 | |
| SCHEMBL15536289 | 0.80 | KDM4E (0.40) | SOAT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |