Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BAZ2A | Q9UIF9 | 8/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10924246 | 0.99 | BAZ2A (0.47) | BAZ2ALMNAMAPTTSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL4035669 | 0.85 | AOC3 (0.42) | BAZ2AAOC3MEN1KMT2ACHEK1 | |
| SCHEMBL5378395 | 0.80 | OGA (0.53) | BAZ2ALMNAMAPTTSHRNPSR1 | |
| Hydrochloric Acid SCHEMBL2584196 | 0.79 | MAPT (0.53) | BAZ2ALMNAMAPTTSHRNPSR1 | |
| SCHEMBL10920063 | 0.75 | ALDH1A1 (0.42) | LMNAMAPTTSHRNPSR1MAPK1 | |
| SCHEMBL3159022 | 0.75 | ALDH1A1 (0.39) | BAZ2AMAPK1MAPK13MAPK12MAPK11 | |
| SCHEMBL6820126 | 0.75 | BAZ2A (0.50) | BAZ2ASMN1; SMN2AOC3 | |
| SCHEMBL5230966 | 0.73 | SMN1; SMN2 (0.43) | MAPTSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL1831608 | 0.72 | MAPT (0.40) | LMNAMAPTTSHRNPSR1MAPK1 | |
| SCHEMBL27709325 | 0.72 | BAZ2A (0.40) | BAZ2AMAPK1HTTAOC3ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | disclosed |
| EP-1765816-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002981-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2006-01-12 | — | — | WO | disclosed |
| WO-2004041815-A1 | INDOLE DERIVATIVE WITH 5HT1A AFFINITY | MERCK PATENT GMBH (DE) | 2004-05-21 | — | — | WO | disclosed |