Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | IAPP | P10997 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9130901 | 0.85 | TDP1 (0.43) | CES1CES2ALDH1A1MEN1KMT2A | |
| SCHEMBL8907740 | 0.73 | CYP1A2 (0.39) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| Cyclopentane SCHEMBL27697390 | 0.72 | FAAH (0.50) | CES1CES2ALDH1A1TP53MEN1 | |
| SCHEMBL10141113 | 0.72 | TSHR (0.31) | ALDH1A1CYP1A2CYP2C19TDP1 | |
| SCHEMBL29242032 | 0.71 | CES1 (0.42) | CES1CES2ALDH1A1TP53MEN1 | |
| SCHEMBL28471629 | 0.70 | CES1 (0.38) | CES1CES2ALDH1A1TP53MEN1 | |
| SCHEMBL2478384 | 0.70 | CES2 (0.45) | CES1CES2ALDH1A1MEN1KMT2A | |
| SCHEMBL4678177 | 0.70 | MAPT (0.41) | ALDH1A1MEN1KMT2AFAAH | |
| SCHEMBL6312935 | 0.69 | GNAI3 (0.50) | CES1CES2ALDH1A1MEN1KMT2A | |
| SCHEMBL6264306 | 0.68 | GNAI3 (0.42) | CES1CES2ALDH1A1MEN1KMT2A |
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-101155803-A | Method for obtaining a pharmaceutically active compound (irbesartan) and its synthesis intermediate | INKE SA (ES) | 2008-04-02 | — | — | CN | disclosed |