Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | LDHA | P00338 | 1/20 | 0.59 |
| ▸ | IDO1 | P14902 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21323940 | 0.94 | SLC6A4 (0.62) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL20781017 | 0.90 | SLC6A4 (0.58) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL6017470 | 0.89 | SLC6A4 (0.62) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL13623704 | 0.89 | SLC6A4 (0.62) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL23063771 | 0.88 | SLC6A4 (0.61) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL8283102 | 0.87 | SLC6A4 (0.60) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL28351383 | 0.87 | SLC6A4 (0.60) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL7976221 | 0.87 | SLC6A4 (0.60) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL13623707 | 0.87 | SLC6A4 (0.60) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL8983553 | 0.87 | SLC6A4 (0.60) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA |
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-106589311-B | A kind of Intrinsical selfreparing and recyclable polyether polyols and its preparation method and application | 中山大学 | 2019-05-07 | — | — | CN | disclosed |