Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | EEF2K | O00418 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28207137 | 0.78 | CES2 (0.40) | TRPA1IDO1TDO2CES2CES1 | |
| SCHEMBL4910575 | 0.76 | IDO1 (0.37) | TRPA1IDO1TDO2CES2CES1 | |
| SCHEMBL30145600 | 0.74 | IDO1 (0.40) | TRPA1IDO1TDO2CES2CES1 | |
| SCHEMBL1023334 | 0.74 | IDO1 (0.40) | TRPA1IDO1TDO2CES2CES1 | |
| SCHEMBL7868609 | 0.74 | IDO1 (0.40) | TRPA1IDO1TDO2CES2CES1 | |
| SCHEMBL1628591 | 0.74 | TRPA1 (0.50) | TRPA1IDO1TDO2ALDH1A1TDP1 | |
| SCHEMBL3495437 | 0.74 | TSHR (0.50) | IDO1TDO2CES2CES1ALDH1A1 | |
| SCHEMBL1125095 | 0.74 | TRPA1 (0.50) | TRPA1ALDH1A1GAACCR1CYP2C9 | |
| SCHEMBL9501889 | 0.74 | TRPA1 (0.50) | TRPA1ALDH1A1MEN1KMT2AGAA | |
| SCHEMBL2339911 | 0.74 | ALDH1A1 (0.38) | IDO1TDO2CES2CES1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107522634-A | Biaryl ureas carboxylic acid derivates or its salt and its production and use | 复旦大学 | 2017-12-29 | — | — | CN | disclosed |
| CN-102030761-B | Prasugrel midbody and preparation method thereof | ZHEJIANG PULUO JIAYUAN PHARMACEUTICAL CO LTD | 2012-10-10 | — | — | CN | disclosed |
| CN-102030761-A | Prasugrel midbody and preparation method thereof | ZHEJIANG PULUO JIAYUAN PHARMACEUTICAL CO LTD | 2011-04-27 | — | — | CN | disclosed |
| CN-101735241-A | Prasugrel intermediate and preparation method thereof | ZHEJIANG APELOA HOME PHARMACEU | 2010-06-16 | — | — | CN | disclosed |