Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PPOX | P50336 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CCR1 | P32246 | 2/20 | 0.31 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.31 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5398257 | 0.89 | CYP1A2 (0.35) | PDE10APDE2APPOXHTR2AHTR2C | |
| SCHEMBL8549829 | 0.84 | GAA (0.37) | GAACYP1A2 | |
| SCHEMBL27814912 | 0.82 | GAA (0.34) | GAACYP1A2 | |
| SCHEMBL8570112 | 0.81 | MAPT (0.34) | GAACYP1A2 | |
| SCHEMBL14489535 | 0.79 | PLAU (0.33) | GAA | |
| SCHEMBL3689455 | 0.79 | RORC (0.36) | GAA | |
| SCHEMBL6912537 | 0.77 | MEN1 (0.33) | CYP1A2 | |
| SCHEMBL6911424 | 0.77 | MEN1 (0.33) | CYP1A2 | |
| SCHEMBL7609789 | 0.77 | MEN1 (0.33) | GAACYP1A2 | |
| SCHEMBL8566825 | 0.77 | GAA (0.36) | PDE10APDE2AGAAHTR2AHTR2C |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1050121-C | Process for preparing substituted aryl-halogenoalkyl pyrazoles | MONSANTO CO (US) | 2000-03-08 | — | — | CN | disclosed |
| EP-0553307-B1 | HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES | MONSANTO CO (US) | 1998-12-09 | — | — | EP | disclosed |
| EP-0791571-A1 | Benzoyl derivatives | MONSANTO COMPANY (US) | 1997-08-27 | — | — | EP | disclosed |
| US-5536700-A | Herbicidal compositions comprising aryl-5-haloalkylpyrazoles and glyphosate, it's salts, diquat or paraquat | MONSANTO COMPANY (US) | 1996-07-16 | — | — | US | disclosed |
| US-5530126-A | ALKYLATION IN INERT SOLVENT | MONSANTO COMPANY (US) | 1996-06-25 | — | — | US | disclosed |
| US-5496956-A | BY ESTERIFICATION OF CARBOXY SUBSTITUTION WITH ALCOHOLS IN THE PRESENCE OF MINERAL ACID | MONSANTO COMPANY (US) | 1996-03-05 | — | — | US | disclosed |
| US-5489571-A | CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS | MONSANTO COMPANY (US) | 1996-02-06 | — | — | US | disclosed |
| US-5281571-A | Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles | MONSANTO COMPANY (US) | 1994-01-25 | — | — | US | disclosed |
| EP-0553307-A1 | HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES | MONSANTO COMPANY (US) | 1993-08-04 | — | — | EP | disclosed |
| WO-1992006962-A1 | HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES | MONSANTO COMPANY (US) | 1992-04-30 | — | — | WO | disclosed |