Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE1A | P54750 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9302253 | 0.87 | GPR35 (0.49) | GPR35PDE5APDE4APDE1APDE1B | |
| SCHEMBL9242812 | 0.85 | GRIN2D (0.44) | GPR35ESR1HSD17B10CYP3A4CYP2C9 | |
| SCHEMBL9302205 | 0.84 | ESR1 (0.44) | GPR35NPC1ESR1ALDH1A1HPGD | |
| SCHEMBL9302889 | 0.84 | ESR1 (0.41) | GPR35SMN1; SMN2NPC1ESR1KDM4E | |
| SCHEMBL9255419 | 0.78 | ACMSD (0.44) | GPR35HSD17B10MAOA | |
| SCHEMBL9269222 | 0.77 | HSD17B1 (0.42) | GPR35ALDH1A1HSD17B10MAOAPOLB | |
| SCHEMBL9255770 | 0.75 | CYP3A4 (0.46) | GPR35SMN1; SMN2PDE5APDE4APDE4B | |
| SCHEMBL9301998 | 0.75 | P2RY14 (0.61) | SMN1; SMN2KDM4EALDH1A1HPGDMEN1 | |
| SCHEMBL9303171 | 0.75 | POLB (0.43) | GPR35ESR1HSD17B10CYP3A4CYP2C9 | |
| SCHEMBL989426 | 0.74 | SMN1; SMN2 (0.59) | GPR35SMN1; SMN2KDM4EALDH1A1HPGD |
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-5281720-A | Antiasthmatics, antiallergens, antiinflammatory agents and cytoprotective agents | MERCK FROSST CANADA, INC. | 1994-01-25 | — | — | US | disclosed |
| US-5227399-A | Pyranylphenyl naphthalene lactones as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1993-07-13 | — | — | US | disclosed |
| EP-0501579-A1 | Naphthalene lactones as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA INC. (CA) | 1992-09-02 | — | — | EP | disclosed |
| EP-0501578-A1 | Pyranylphenyl hydroxyalkylnaphthoic acids as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA INC. (CA) | 1992-09-02 | — | — | EP | disclosed |