Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8569733 | 1.00 | PKM (0.35) | PKMGPR55CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23334072 | 0.91 | GAA (0.33) | CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL8571529 | 0.85 | CYP1A2 (0.35) | CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL27536557 | 0.84 | MEN1 (0.32) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL23300855 | 0.84 | MEN1 (0.32) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL23334073 | 0.84 | MEN1 (0.32) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL27501073 | 0.81 | MEN1 (0.33) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL6909703 | 0.80 | PKM (0.44) | PKMCYP2C19ALDH1A1 | |
| SCHEMBL7982593 | 0.79 | IDH1 (0.35) | CYP1A2CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL7595992 | 0.79 | MAPT (0.32) | CYP1A2CYP2C9CYP2C19MEN1KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |