Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | MLYCD | O95822 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | RAPGEF3 | O95398 | 2/20 | 0.41 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9818892 | 0.94 | CYP11B1 (0.43) | GSK3BMLYCDCES2CES1RAPGEF3 | |
| SCHEMBL9818860 | 0.94 | CYP11B1 (0.43) | GSK3BMLYCDCES2CES1RAPGEF3 | |
| SCHEMBL9818875 | 0.94 | MLYCD (0.43) | GSK3BMLYCDCES2CES1RAPGEF3 | |
| SCHEMBL9819113 | 0.82 | ALDH1A1 (0.42) | CES2CES1RAPGEF3SMN1; SMN2ALDH1A1 | |
| SCHEMBL9819226 | 0.78 | RAPGEF3 (0.48) | RAPGEF3SMN1; SMN2TSHRLMNANPSR1 | |
| SCHEMBL1858924 | 0.73 | GSK3B (0.56) | GSK3BCES2CES1RAPGEF3RAPGEF4 | |
| SCHEMBL8309743 | 0.73 | GSK3B (0.59) | GSK3BCES2CES1RAPGEF3RAPGEF4 | |
| SCHEMBL9818928 | 0.72 | EPHX2 (0.50) | GSK3BCES2CES1RAPGEF3RAPGEF4 | |
| SCHEMBL14364710 | 0.72 | GSK3B (0.47) | GSK3BCES2CES1RAPGEF3RAPGEF4 | |
| SCHEMBL9819075 | 0.70 | EPHX2 (0.47) | GSK3BCES2CES1RAPGEF3RAPGEF4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5034410-A | Nitrile and oxo containing amides or thioamides | SYNTEX (U.S.A.) INC. (US) | 1991-07-23 | — | — | US | disclosed |