Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | S100B | P04271 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL23716948 | 0.85 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TDP1TSHRKEAP1 | |
| Formic Acid SCHEMBL27819476 | 0.85 | KEAP1 (0.46) | ALDH1A1CYP3A4TDP1TSHRKEAP1 | |
| SCHEMBL102467 | 0.84 | — | — | |
| SCHEMBL29722285 | 0.84 | — | — | |
| Formic Acid Methyl Ester SCHEMBL27621281 | 0.83 | ALDH1A1 (0.65) | ALDH1A1TDP1KEAP1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL11831950 | 0.82 | CYP3A4 (0.54) | ALDH1A1CYP3A4TDP1TSHRKEAP1 | |
| Ammonia Solution, Strong SCHEMBL28156672 | 0.82 | CYP3A4 (0.54) | ALDH1A1CYP3A4TDP1TSHRKEAP1 | |
| Nitrogen SCHEMBL28363310 | 0.80 | CYP3A4 (0.52) | ALDH1A1CYP3A4TDP1TSHRKEAP1 | |
| SCHEMBL8943124 | 0.76 | CYP3A4 (0.48) | ALDH1A1CYP3A4TDP1TSHRKEAP1 | |
| Formic Acid Methyl Ester SCHEMBL27581497 | 0.75 | NFE2L2 (0.44) | ALDH1A1MEN1KMT2ANPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108473444-A | Benzamide compounds and its purposes as herbicide | 巴斯夫欧洲公司 | 2018-08-31 | — | — | CN | disclosed |