Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of O-Tolylamine. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | CD44 | P16070 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.42 |
| ▸ | FEN1 | P39748 | 1/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| O-Tolylamine SCHEMBL6760044 | 0.91 | CYP3A4 (0.68) | CYP3A4TDP1CD44MYCMAPT | |
| O-Tolylamine SCHEMBL11292723 | 0.91 | CYP3A4 (0.68) | CYP3A4TDP1CD44MYCMAPT | |
| O-Tolylamine SCHEMBL27607964 | 0.91 | CYP3A4 (0.68) | CYP3A4TDP1CD44MYCMAPT | |
| O-Tolylamine SCHEMBL11454675 | 0.88 | CYP3A4 (0.65) | CYP3A4TDP1CD44MYCMAPT | |
| O-Tolylamine SCHEMBL27622148 | 0.87 | CYP3A4 (0.88) | CYP3A4TDP1CD44GAAALDH1A1 | |
| O-Tolylamine SCHEMBL29875684 | 0.87 | TDP1 (0.58) | CYP3A4TDP1CD44MYCMAPT | |
| Benzoic Acid SCHEMBL28927945 | 0.85 | TDP1 (0.60) | CYP3A4TDP1CD44MYCMAPT | |
| Terephthalic Acid SCHEMBL27797198 | 0.85 | TDP1 (0.60) | CYP3A4TDP1MYCMAPTGAA | |
| O-Tolylamine SCHEMBL29875692 | 0.85 | TDP1 (0.60) | CYP3A4TDP1CD44MYCMAPT | |
| O-Tolylamine SCHEMBL28023844 | 0.85 | CYP3A4 (0.60) | CYP3A4TDP1CD44GAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20030092189-A1 | Method and device for determining chlorine dioxide in aqueous solutions | JOHNSON, LYDIA | 2003-05-15 | — | — | US | disclosed |