Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.37 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.37 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1170330 | 1.00 | JAK2 (0.42) | JAK2JAK1PDK1PDK2PDK3 | |
| SCHEMBL1170610 | 1.00 | JAK2 (0.42) | JAK2JAK1PDK1PDK2PDK3 | |
| SCHEMBL10262476 | 1.00 | JAK2 (0.42) | JAK2JAK1PDK1PDK2PDK3 | |
| SCHEMBL7980800 | 0.86 | PDK1 (0.43) | JAK2JAK1PDK1PDK2PDK3 | |
| SCHEMBL10293063 | 0.86 | CYP2D6 (0.37) | JAK2JAK1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL754867 | 0.85 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL5332171 | 0.85 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL2553195 | 0.85 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL4327063 | 0.85 | ALDH1A1 (0.39) | SMN1; SMN2ALDH1A1KCNJ6KCNJ5KCNJ3 | |
| SCHEMBL2434192 | 0.85 | PDK1 (0.42) | JAK2JAK1PDK1PDK2PDK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1910364-B1 | SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (US) | 2012-03-21 | — | — | EP | disclosed |