Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ME2 | P23368 | 4/20 | 0.61 |
| ▸ | ME1 | P48163 | 4/20 | 0.61 |
| ▸ | ME3 | Q16798 | 4/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | 0.82 | SLC6A7 (0.45) | ME2ME1ME3NPC1RAB9A | |
| SCHEMBL3257705 | 0.80 | SCD (0.43) | ME2ME1ME3NPC1RAB9A | |
| SCHEMBL4375389 | 0.79 | FKBP1A (0.65) | ME2ME1ME3FKBP1AALDH1A1 | |
| SCHEMBL3259324 | 0.79 | ALDH1A1 (0.48) | ME2ME1ME3RAB9AALDH1A1 | |
| SCHEMBL10305162 | 0.76 | FKBP1A (0.76) | ME2ME1ME3NPC1FKBP1A | |
| SCHEMBL17377764 | 0.76 | PI4KB (0.52) | ME2ME1ME3FKBP1AALDH1A1 | |
| SCHEMBL3807969 | 0.76 | KMT2A (0.57) | ME2ME1ME3FKBP1AALDH1A1 | |
| SCHEMBL23244399 | 0.76 | ME2 (1.00) | ME2ME1ME3FKBP1AALDH1A1 | |
| SCHEMBL3151595 | 0.76 | NPC1 (0.59) | NPC1RAB9AALDH1A1KMT2ATSHR | |
| SCHEMBL5178383 | 0.75 | GRM5 (0.54) | NPC1RAB9AALDH1A1KMT2ATSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |