Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | XPO1 | O14980 | 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 | |
|---|---|---|---|---|
| SCHEMBL6856533 | 0.84 | CES2 (0.41) | CES2RPS6KA3JAK3KIF11ALDH1A1 | |
| SCHEMBL66819 | 0.84 | CES2 (0.46) | CES2RPS6KA3JAK3KIF11ALDH1A1 | |
| SCHEMBL12187815 | 0.79 | GABRA1 (0.33) | POLB | |
| SCHEMBL478113 | 0.77 | KIF11 (0.38) | CES2RPS6KA3JAK3KIF11ALDH1A1 | |
| SCHEMBL30070463 | 0.77 | KIF11 (0.38) | CES2RPS6KA3JAK3KIF11ALDH1A1 | |
| SCHEMBL18002229 | 0.77 | AHR (0.41) | CES2RPS6KA3JAK3KIF11FBP1 | |
| SCHEMBL19270461 | 0.77 | CES2 (0.40) | CES2ALDH1A1XPO1 | |
| SCHEMBL3684529 | 0.77 | CES2 (0.46) | CES2ALDH1A1XPO1 | |
| SCHEMBL13861822 | 0.77 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL15715521 | 0.77 | ALDH1A1 (0.36) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2697229-B1 | ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | MELINTA THERAPEUTICS INC (US) | 2018-04-04 | — | — | EP | disclosed |
| WO-2009042694-A1 | (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING | COMENTIS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |