Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10896123 | 0.90 | TSHR (0.40) | KEAP1NFE2L2ALDH1A1HDAC1HDAC6 | |
| SCHEMBL10897928 | 0.87 | POLQ (0.41) | ALDH1A1TSHRTP53THRBMEN1 | |
| SCHEMBL10671174 | 0.83 | NPC1 (0.37) | KEAP1NFE2L2ALDH1A1HDAC1HDAC6 | |
| SCHEMBL9511788 | 0.81 | CYP3A4 (0.39) | KEAP1NFE2L2ALDH1A1HDAC1HDAC6 | |
| SCHEMBL10344940 | 0.80 | TSHR (0.39) | KEAP1NFE2L2HDAC1HDAC6HRH3 | |
| SCHEMBL10989724 | 0.80 | CYP1A2 (0.43) | ALDH1A1HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL10994861 | 0.80 | TSHR (0.39) | KEAP1NFE2L2ALDH1A1HDAC1HDAC6 | |
| SCHEMBL9006388 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRTP53 | |
| Hydrochloric Acid SCHEMBL10900071 | 0.79 | TSHR (0.38) | KEAP1NFE2L2HDAC1HDAC6HRH3 | |
| SCHEMBL10987772 | 0.79 | TSHR (0.40) | ALDH1A1HDAC1HDAC6TSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-4561879-A | Composition and method for combating weeds using an N-imidazolylmethyl halogenoacetanilide | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-31 | — | — | US | disclosed |
| US-4517011-A | N-substituted halogenoacetanilides and their use as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1985-05-14 | — | — | US | disclosed |