Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 9/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL12207 | 0.82 | LIPE (0.40) | LIPEDRD2KCNH2TRPV1 | |
| SCHEMBL1590009 | 0.79 | LIPE (0.81) | LIPEMEN1NPC1KMT2ATRPV1 | |
| SCHEMBL1590008 | 0.79 | LIPE (0.81) | LIPEMEN1NPC1KMT2ATRPV1 | |
| SCHEMBL1590158 | 0.76 | LIPE (0.81) | LIPEMEN1NPC1KMT2ATRPV1 | |
| SCHEMBL1590157 | 0.76 | LIPE (0.81) | LIPEMEN1NPC1KMT2ATRPV1 | |
| SCHEMBL12336 | 0.72 | TRPV1 (0.33) | LIPEDRD2KCNH2TRPV1 | |
| SCHEMBL12274065 | 0.68 | LIPE (1.00) | LIPEMEN1NPC1KMT2A | |
| SCHEMBL12274066 | 0.68 | LIPE (1.00) | LIPEMEN1NPC1KMT2A | |
| SCHEMBL1589729 | 0.67 | LIPE (0.51) | LIPEDRD2NPC1KCNH2TRPV1 | |
| SCHEMBL1589730 | 0.67 | LIPE (0.51) | LIPEDRD2NPC1KCNH2TRPV1 |
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-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |