Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.68 |
| ▸ | CD44 | P16070 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 SCHEMBL272719 | 1.00 | TDP1 (0.68) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL6418354 | 1.00 | TDP1 (0.68) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL29393491 | 1.00 | TDP1 (0.68) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL112023 | 1.00 | TDP1 (0.68) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL28417386 | 0.92 | CYP3A4 (0.58) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL27660087 | 0.90 | CYP3A4 (0.75) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL330781 | 0.86 | CYP3A4 (0.68) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL9613766 | 0.84 | CYP3A4 (0.94) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL8469060 | 0.84 | CYP3A4 (0.94) | TDP1CYP3A4CD44TSHRSMN1; SMN2 | |
| O-Tolylamine SCHEMBL31145800 | 0.84 | — | — |
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-108147980-B | Method for producing diisocyanates by phosgenation of diamine suspensions | 科思创德国股份有限公司 | 2020-10-23 | — | — | CN | disclosed |