Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLNR | O43193 | 15/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.54 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.46 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | YAP1 | P46937 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4185674 | 0.88 | MLNR (0.73) | MLNRCYP3A4CCR1CYP2D6KCNH2 | |
| SCHEMBL1704527 | 0.85 | MLNR (0.65) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704154 | 0.85 | MLNR (0.65) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4183557 | 0.82 | MLNR (0.77) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL4597349 | 0.79 | MLNR (0.70) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1703823 | 0.79 | MLNR (0.70) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL1704131 | 0.78 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL14646619 | 0.78 | PDK1 (0.59) | PDK1PDK2PDK3PDK4CCR1 | |
| SCHEMBL1704619 | 0.78 | MLNR (1.00) | MLNRCYP3A4CYP2D6KCNH2 | |
| SCHEMBL2010214 | 0.77 | MLNR (0.46) | MLNRCYP3A4PDK1PDK2PDK3 |
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-2441763-A1 | Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders | Glaxo Group Limited (GB) | 2012-04-18 | — | — | EP | disclosed |