Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | LIG1 | P18858 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GRK6 | P43250 | 2/20 | 0.32 |
| ▸ | HK1 | P19367 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538152 | 0.85 | ALDH1A1 (0.33) | THRBALDH1A1MEN1KMT2ACYP2C19 | |
| SCHEMBL9537862 | 0.85 | APEX1 (0.38) | APEX1LIG1ALDH1A1MEN1KMT2A | |
| SCHEMBL8566176 | 0.81 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ACYP2C19CYP3A4 | |
| SCHEMBL8571533 | 0.81 | PKM (0.39) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL6843950 | 0.79 | TDP1 (0.39) | ALDH1A1MEN1KMT2ACYP2C19CYP3A4 | |
| SCHEMBL8566681 | 0.79 | PKM (0.39) | ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL8567740 | 0.78 | ALDH1A1 (0.32) | ALDH1A1CYP3A4HPGDALOX15TSHR | |
| SCHEMBL8571516 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ACYP2C19POLB | |
| SCHEMBL9538983 | 0.77 | SMN1; SMN2 (0.33) | ALDH1A1MEN1KMT2ACYP3A4HPGD | |
| SCHEMBL8566841 | 0.77 | ALDH1A1 (0.35) | ALDH1A1MEN1KMT2ACYP2C19CYP3A4 |
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 |