Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11891807 | 0.91 | PTGDR (0.44) | HSP90AA1TLR9PTGDRPTGDR2NOS3 | |
| SCHEMBL28899720 | 0.89 | PTGDR (0.50) | HSP90AA1TLR9PTGDRPTGDR2NOS3 | |
| SCHEMBL16905177 | 0.83 | PTGDR (0.40) | PTGDRPTGDR2NOS3NOS1NOS2 | |
| SCHEMBL18769998 | 0.77 | OPRL1 (0.38) | PTGDRPTGDR2NOS3NOS1NOS2 | |
| SCHEMBL16962649 | 0.77 | CHRNB2 (0.41) | PTGDR2NOS3NOS1NOS2HTR2A | |
| SCHEMBL23857836 | 0.77 | HTR2C (0.38) | PTGDRPTGDR2NOS3NOS1NOS2 | |
| SCHEMBL16291407 | 0.77 | TAAR1 (0.42) | PTGDRPTGDR2NOS3NOS1NOS2 | |
| SCHEMBL931388 | 0.77 | ALOX15 (0.48) | HSP90AA1PTGDRPTGDR2ALOX15HTR2A | |
| SCHEMBL31586961 | 0.77 | NOS3 (0.43) | PTGDRPTGDR2NOS3NOS1NOS2 | |
| SCHEMBL16962647 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2260032-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. du Pont de Nemours and Company (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009094445-A2 | FUNGICIDAL HETERCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-07-30 | — | — | WO | disclosed |