Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 2/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.34 |
| ▸ | IDUA | P35475 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.32 |
| ▸ | GNAI3 | P08754 | 2/20 | 0.31 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.31 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.31 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21103101 | 0.88 | EPHX2 (0.35) | ITGB3ITGA2BIDUAGNAI3GNAO1 | |
| SCHEMBL25231961 | 0.81 | ITGB3 (0.38) | ITGB3ITGA2BIDUAHDAC3HDAC4 | |
| SCHEMBL19834771 | 0.77 | HDAC3 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL22223259 | 0.74 | GNAI3 (0.48) | ITGB3ITGA2BGNAI3GNAO1GNAI1 | |
| SCHEMBL30407016 | 0.74 | GPR119 (0.49) | PKM | |
| SCHEMBL19834786 | 0.73 | ALDH1A1 (0.54) | PKMHTTKMT2A | |
| SCHEMBL19834819 | 0.73 | GAA (0.49) | HTT | |
| SCHEMBL13531821 | 0.73 | FAAH (0.49) | — | |
| SCHEMBL19834875 | 0.72 | CYP2C9 (0.47) | MEN1HTTKMT2A | |
| SCHEMBL25277190 | 0.72 | HDAC3 (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018024907-A1 | PIPERIDINE DERIVATIVES FOR USE IN THE TREATMENT OF PANCREATIC CANCER | CENTRE HOSPITALIER UNIVERSITAIRE VAUDOIS CHUV (CH) | 2018-02-08 | — | — | WO | disclosed |