Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9648020 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL9648413 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL9649759 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL9649943 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL9648016 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL11097904 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL9648420 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL9649514 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL9649524 | 1.00 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 | |
| SCHEMBL9648552 | 0.99 | PDE4B (0.44) | PDE4BNR5A1POLBCYP3A4CYP2D6 |
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 |