Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.83 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.83 |
| ▸ | CD44 | P16070 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 7/20 | 0.50 |
| ▸ | CASP1 | P29466 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 SCHEMBL8469060 | 0.94 | CYP3A4 (0.94) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL9613766 | 0.94 | CYP3A4 (0.94) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL29441724 | 0.94 | — | — | |
| O-Tolylamine SCHEMBL31145800 | 0.94 | — | — | |
| O-Tolylamine SCHEMBL15789 | 0.94 | — | — | |
| O-Tolylamine SCHEMBL28046845 | 0.92 | CYP3A4 (0.79) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL8602819 | 0.91 | — | — | |
| O-Tolylamine SCHEMBL11231934 | 0.91 | CYP3A4 (0.88) | CYP3A4TDP1CD44TSHRCASP1 | |
| O-Tolylamine SCHEMBL21494153 | 0.91 | — | — | |
| O-Tolylamine SCHEMBL22471782 | 0.91 | CYP3A4 (0.88) | CYP3A4TDP1CD44TSHRCASP1 |
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-104744272-B | Preparation method of 2- (methoxymethyl) phenyl-1, 4-diamine | 浙江鼎龙科技有限公司 | 2016-09-14 | — | — | CN | disclosed |