Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 9/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9649269 | 1.00 | PDE4B (0.43) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9646814 | 0.99 | PDE4B (0.42) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9646809 | 0.99 | PDE4B (0.42) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9649360 | 0.99 | PDE4B (0.42) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9649373 | 0.99 | PDE4B (0.42) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9648208 | 0.97 | PDE4B (0.41) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9648214 | 0.97 | PDE4B (0.41) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9647250 | 0.96 | PDE4B (0.41) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9649569 | 0.96 | PDE4B (0.41) | PDE4BPOLBCYP3A4CYP2D6NPSR1 | |
| SCHEMBL9649564 | 0.96 | PDE4B (0.41) | PDE4BPOLBCYP3A4CYP2D6NPSR1 |
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 4 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 |
| EP-0107759-A2 | Cyclohexane derivatives and their use as components for liquid crystals | MERCK PATENT GmbH (DE) | 1984-05-09 | — | — | EP | disclosed |