Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD | O00767 | 1/20 | 0.43 |
| ▸ | ME2 | P23368 | 3/20 | 0.43 |
| ▸ | ME1 | P48163 | 3/20 | 0.43 |
| ▸ | ME3 | Q16798 | 3/20 | 0.43 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5179616 | 0.90 | SLC6A7 (0.45) | SCDME2ME1ME3SLC6A7 | |
| SCHEMBL3259324 | 0.83 | ALDH1A1 (0.48) | SCDME2ME1ME3SLC6A7 | |
| SCHEMBL5178153 | 0.80 | ME2 (0.61) | ME2ME1ME3KMT2AALDH1A1 | |
| SCHEMBL3257527 | 0.76 | ALDH1A1 (0.46) | SCDME2ME1ME3SLC6A7 | |
| SCHEMBL3151726 | 0.75 | SCD (0.43) | SCDSLC6A7PARP1GRM5GRM1 | |
| SCHEMBL15002301 | 0.74 | GRM5 (0.53) | SCDSLC6A7GRM5KDM4ETP53 | |
| SCHEMBL15002298 | 0.74 | GRM5 (0.47) | SLC6A7KMT2AALDH1A1GRM5KDM4E | |
| SCHEMBL5178383 | 0.73 | GRM5 (0.54) | SCDSLC6A7KMT2AALDH1A1GRM5 | |
| SCHEMBL14340911 | 0.73 | SCD (0.49) | SCDSLC6A7ALDH1A1GRM5GRM1 | |
| SCHEMBL11080726 | 0.71 | SLC6A7 (0.53) | SCDSLC6A7KMT2AALDH1A1GRM5 |
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-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 |