Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.39 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9648269 | 1.00 | POLB (0.43) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9650096 | 0.96 | POLB (0.42) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9650101 | 0.96 | POLB (0.42) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9648347 | 0.95 | POLB (0.41) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9648352 | 0.95 | POLB (0.41) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9648787 | 0.95 | POLB (0.41) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9648781 | 0.95 | POLB (0.41) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9646611 | 0.94 | PDE4B (0.43) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9646608 | 0.94 | PDE4B (0.43) | POLBCYP3A4CYP2D6NPSR1PDE4B | |
| SCHEMBL9649575 | 0.92 | POLB (0.44) | POLBCYP3A4CYP2D6NPSR1PDE4B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5108652-A | Liquid crystal dielectrics | Merck patent Gesellschaft mit beschrankter Haftung Darmstadt (DE) | 1992-04-28 | — | — | US | disclosed |
| US-4986931-A | Cyclohexane derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-22 | — | — | US | disclosed |
| US-4510069-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-09 | — | — | US | disclosed |