Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9061633 | 1.00 | GAA (0.34) | GAAMAPTSPHK1PDE4DKDM1A | |
| SCHEMBL9061143 | 1.00 | GAA (0.34) | GAAMAPTSPHK1PDE4DKDM1A | |
| SCHEMBL9062284 | 1.00 | GAA (0.34) | GAAMAPTSPHK1PDE4DKDM1A | |
| SCHEMBL9062041 | 1.00 | GAA (0.34) | GAAMAPTSPHK1PDE4DKDM1A | |
| SCHEMBL8411577 | 0.99 | PDE4D (0.33) | GAAMAPTSPHK1PDE4DKDM1A | |
| SCHEMBL8411574 | 0.99 | PDE4D (0.33) | GAAMAPTSPHK1PDE4DKDM1A | |
| SCHEMBL8377207 | 0.99 | PDE4D (0.33) | GAAMAPTSPHK1PDE4DKDM1A | |
| SCHEMBL8411600 | 0.95 | KDM1A (0.34) | GAAMAPTPDE4DKDM1ACYP2C9 | |
| SCHEMBL8379549 | 0.95 | KDM1A (0.34) | GAAMAPTPDE4DKDM1ACYP2C9 | |
| SCHEMBL8411606 | 0.95 | KDM1A (0.34) | GAAMAPTPDE4DKDM1ACYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5389292-A | Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0381728-B1 | DIFLUOROMETHYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |
| EP-0381728-A1 | DIFLUOROMETHYL COMPOUNDS. | MERCK PATENT GMBH (DE) | 1990-08-16 | — | — | EP | disclosed |
| WO-1990001056-A1 | DIFLUOROMETHYL COMPOUNDS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-02-08 | — | — | WO | disclosed |