Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of N-Benzylaniline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.56 |
| ▸ | PTPRF | P10586 | 1/20 | 0.53 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL6665802 | 0.89 | HIF1A (0.64) | CA2CA1CA12CA9FFAR1 | |
| N-Benzylaniline SCHEMBL8160530 | 0.87 | CA1 (0.54) | CA2CA1CA12CA9FFAR1 | |
| N-Benzylaniline SCHEMBL7840 | 0.87 | HTT (0.71) | CA2CA1CA12CA9FFAR1 | |
| SCHEMBL22628164 | 0.87 | HTT (0.71) | CA2CA1CA12CA9FFAR1 | |
| SCHEMBL29151673 | 0.85 | CA1 (0.60) | CA2CA1CA12CA9FFAR1 | |
| SCHEMBL9189617 | 0.85 | CA1 (0.70) | CA2CA1CA12CA9FFAR1 | |
| N-Benzylaniline SCHEMBL27620362 | 0.84 | HTT (0.68) | CA2CA1CA12CA9FFAR1 | |
| N-Benzylaniline SCHEMBL3602124 | 0.84 | HTT (0.68) | CA2CA1CA12CA9FFAR1 | |
| N-Benzylaniline SCHEMBL357137 | 0.84 | HTT (0.68) | CA2CA1CA12CA9FFAR1 | |
| N-Benzylaniline SCHEMBL2176624 | 0.84 | HTT (0.68) | CA2CA1CA12CA9FFAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110769691-B | Synergistic mixtures for fungal control in cereals | 陶氏益农公司 | 2022-07-05 | — | — | CN | disclosed |
| CN-110769691-A | Synergistic mixtures for fungal control in cereals | 陶氏益农公司 | 2020-02-07 | — | — | CN | disclosed |
| CN-107427008-A | Pesticidal combination and correlation technique | 美国陶氏益农公司 | 2017-12-01 | — | — | CN | disclosed |