Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | PDE4B | Q07343 | 10/20 | 0.50 |
| ▸ | PDE4A | P27815 | 3/20 | 0.50 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.50 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.50 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.50 |
| ▸ | MET | P08581 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7798680 | 0.93 | PDE4B (0.49) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL7801804 | 0.93 | PDE4B (0.50) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL7798666 | 0.93 | PDE4B (0.54) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL7802152 | 0.91 | PDE4B (0.49) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL7800571 | 0.91 | PDE4B (0.51) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL7798682 | 0.91 | PDE4B (0.49) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL6655462 | 0.90 | PDE4B (0.57) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL7798768 | 0.90 | PDE4B (0.48) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL7802025 | 0.89 | PDE4B (0.57) | CYP1A2CYP2C9PDE4BPDE4APDE4C | |
| SCHEMBL7800709 | 0.89 | PDE4B (0.49) | CYP1A2CYP2C9PDE4BPDE4APDE4C |
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 |
|---|---|---|---|---|---|---|---|
| EP-0723962-B1 | Arylalkyl-thiadiazinones | MERCK PATENT GMBH (DE) | 2001-07-04 | — | — | EP | disclosed |
| US-6025354-A | Arylalkyl-thiadiazinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-15 | — | — | US | disclosed |
| US-5747489-A | Arylalkyl-thiadiazinones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-05-05 | — | — | US | disclosed |
| EP-0723962-A1 | Arylalkyl-thiadiazinones | MERCK PATENT GmbH (DE) | 1996-07-31 | — | — | EP | disclosed |