Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.60 |
| ▸ | RAB9A | P51151 | 8/20 | 0.60 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | MITF | O75030 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 5/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16592760 | 0.87 | NPC1 (0.51) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL16592553 | 0.85 | ACHE (0.56) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL21939240 | 0.80 | ACHE (0.59) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL1461185 | 0.77 | PLA2G7 (0.55) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL17226735 | 0.76 | NPC1 (0.56) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL16592779 | 0.73 | NPC1 (0.55) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL12660084 | 0.72 | NPC1 (0.62) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL8362955 | 0.72 | NPC1 (0.58) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL3743148 | 0.72 | SMN1; SMN2 (0.68) | NPC1SMN1; SMN2RAB9AGAAMAPT | |
| SCHEMBL21485722 | 0.72 | NPC1 (0.77) | NPC1SMN1; SMN2RAB9AGAAMAPT |
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-2853532-B1 | 1,2,4-oxadiazole derivatives as allosteric modulators of metabotropic glutamate receptors belonging to group III | INST FARMAKOLOGII POLSKIEJ AKADEMII NAUK (PL) | 2020-12-09 | — | — | EP | disclosed |