Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 12/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27303070 | 0.88 | PPOX (0.46) | PKMTDP1TSHRKDM4EALDH1A1 | |
| SCHEMBL8571533 | 0.86 | PKM (0.39) | PKMPTGDR2RORCKDM4EALDH1A1 | |
| SCHEMBL6911424 | 0.84 | MEN1 (0.33) | CYP2C19TDP1ALDH1A1HPGDHTT | |
| SCHEMBL27505317 | 0.84 | TDP1 (0.37) | PKMCYP2C19PTGDR2TDP1TSHR | |
| SCHEMBL8566681 | 0.84 | PKM (0.39) | PKMPTGDR2RORCKDM4EALDH1A1 | |
| SCHEMBL6909705 | 0.83 | BACE1 (0.35) | CYP2C19KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9534173 | 0.83 | PTGDR2 (0.39) | PKMCYP2C19PTGDR2TDP1TSHR | |
| SCHEMBL8569319 | 0.83 | PKM (0.37) | PKMCYP2C19RORC | |
| SCHEMBL27312072 | 0.83 | MEN1 (0.35) | PKMCYP2C19KDM4EHTT | |
| SCHEMBL6912540 | 0.82 | ALDH1A1 (0.40) | CYP2C19ALDH1A1HPGDHTT |
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 15 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 | claimed |
| US-5489571-A | CROP-SAFE COMPOUNDS EFFECTIVE AT LOW CONCENTRATIONS | MONSANTO COMPANY (US) | 1996-02-06 | — | — | US | claimed |
| US-5281571-A | Herbicidal benzoxazinone- and benzothiazinone-substituted pyrazoles | MONSANTO COMPANY (US) | 1994-01-25 | — | — | US | claimed |
| EP-0553307-A1 | HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES | MONSANTO COMPANY (US) | 1993-08-04 | — | — | EP | claimed |
| WO-1992006962-A1 | HERBICIDAL SUBSTITUTED ARYL-HALOALKYLPYRAZOLES | MONSANTO COMPANY (US) | 1992-04-30 | — | — | WO | claimed |
| EP-0791571-B1 | Benzoyl derivatives | BAYER CROPSCIENCE AG (DE) | 2004-06-16 | — | — | EP | 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 |