Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.37 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.37 |
| ▸ | SCD | O00767 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7833338 | 0.99 | AKT1 (0.42) | AKT1GRIN1GRIN2BIKBKBCTSD | |
| SCHEMBL6029151 | 0.95 | CHEK1 (0.39) | AKT1GRIN1GRIN2BIKBKBCLK4 | |
| SCHEMBL7827088 | 0.91 | DYRK1A (0.39) | AKT1IKBKBCLK4DYRK1ASLC6A2 | |
| SCHEMBL7830301 | 0.88 | AKT1 (0.44) | AKT1GRIN1GRIN2BIKBKBSSTR3 | |
| SCHEMBL7828843 | 0.88 | AKT1 (0.42) | AKT1GRIN1GRIN2BIKBKBCLK4 | |
| SCHEMBL7819214 | 0.87 | AKT1 (0.42) | AKT1GRIN1GRIN2BIKBKBSSTR3 | |
| SCHEMBL6030392 | 0.87 | CHEK1 (0.41) | AKT1GRIN1GRIN2BCLK4CLK1 | |
| Hydrochloric Acid SCHEMBL7830259 | 0.87 | AKT1 (0.41) | AKT1GRIN1GRIN2BIKBKBSSTR3 | |
| SCHEMBL6029200 | 0.86 | ROCK2 (0.38) | AKT1IKBKBCLK4DYRK1AROCK2 | |
| SCHEMBL7826595 | 0.85 | SLC6A4 (0.39) | AKT1GRIN1GRIN2BCTSDSLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1131288-A1 | PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000031032-A1 | PYRROLIDINE DERIVATIVES-CCR-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-02 | — | — | WO | disclosed |