Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.32 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.32 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.32 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL16703534 | 0.81 | GABRA1 (0.33) | GABRA1GABRB2PTGDRPTGDR2 | |
| SCHEMBL16703569 | 0.81 | GABRA1 (0.33) | GABRA1GABRB2PTGDRPTGDR2 | |
| SCHEMBL12987883 | 0.79 | GABRA1 (0.36) | GAAGABRA1GABRB2GSK3BPTGDR | |
| SCHEMBL6184676 | 0.77 | GSK3B (0.39) | GSK3BDAO | |
| SCHEMBL11766536 | 0.69 | GABRA1 (0.40) | GAAGABRA1GABRB2PTGDRPTGDR2 | |
| SCHEMBL843790 | 0.69 | — | — | |
| SCHEMBL44699 | 0.68 | GABRA1 (0.48) | GAAGABRA1GABRB2POLB | |
| SCHEMBL29259237 | 0.67 | — | — | |
| SCHEMBL16235099 | 0.65 | CYP1A2 (0.36) | GSK3BDAO | |
| SCHEMBL12362660 | 0.65 | GSK3B (0.36) | GSK3BDAOGRIA1GRIA2GRIA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015070028-A2 | METHOD OF SYNTHESIS OF POLYTHIOPHENES OF CONTROLLED MOLECULAR WEIGHT | RIEKE REUBEN (US) | 2015-05-14 | — | — | WO | disclosed |
| EP-0410379-B1 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMA (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5068465-A | Hypotensive agents or enzyme inhibitors for treatment of hypertension | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0410379-A2 | Pharmaceutically active 3-aryl and 3-heteroaryl-2-fluoro-1-olefins | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-01-30 | — | — | EP | disclosed |
| US-4981868-A | ENZYME INHIBITORS, HYPOTENSIVES | MERRELL DOW PHARMACEUTICAL (US) | 1991-01-01 | — | — | US | disclosed |