Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 8/20 | 0.76 |
| ▸ | GRM5 | P41594 | 8/20 | 0.76 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19192366 | 1.00 | FPR2 (0.76) | FPR2GRM5HDAC8HDAC6LMNA | |
| SCHEMBL11031800 | 0.86 | GRM5 (1.00) | FPR2GRM5HDAC8HDAC6LMNA | |
| SCHEMBL19192050 | 0.86 | GRM5 (0.70) | FPR2GRM5NPC1RAB9A | |
| SCHEMBL11028370 | 0.85 | GRM5 (0.77) | FPR2GRM5HDAC8HDAC6LMNA | |
| SCHEMBL11031156 | 0.85 | GRM5 (0.77) | FPR2GRM5HDAC8HDAC6LMNA | |
| SCHEMBL11031602 | 0.85 | FPR2 (0.69) | FPR2GRM5HDAC8HDAC6LMNA | |
| SCHEMBL11031433 | 0.85 | FPR2 (0.69) | FPR2GRM5HDAC8HDAC6LMNA | |
| SCHEMBL11030975 | 0.85 | FPR2 (0.69) | FPR2GRM5HDAC8HDAC6LMNA | |
| SCHEMBL11029132 | 0.84 | GRM5 (0.79) | FPR2GRM5LMNANPC1RAB9A | |
| SCHEMBL11029236 | 0.83 | GRM5 (0.73) | FPR2GRM5HDAC8HDAC6MEN1 |
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-2654422-B1 | Bicyclo[3.2.1]octyl amide derivatives as allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5 or mGluR5) for the treatment of central nervous system (CNS) disorders | H LUNDBECK AS (DK) | 2017-08-02 | — | — | EP | disclosed |