Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.79 |
| ▸ | RAB9A | P51151 | 9/20 | 0.79 |
| ▸ | TP53 | P04637 | 5/20 | 0.79 |
| ▸ | HPGD | P15428 | 2/20 | 0.79 |
| ▸ | TSHR | P16473 | 2/20 | 0.79 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.79 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.79 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.79 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.79 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL22757188 | 0.85 | NPC1 (0.74) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL16592624 | 0.82 | BCHE (0.56) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL3432472 | 0.82 | NPC1 (0.64) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL30729303 | 0.82 | NPC1 (0.64) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL12112405 | 0.80 | NPC1 (0.57) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL14328998 | 0.79 | NPC1 (0.83) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL24850188 | 0.77 | NPC1 (0.52) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL29858972 | 0.77 | RAB9A (0.77) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL28636374 | 0.77 | RAB9A (0.49) | NPC1RAB9ATP53HPGDTSHR | |
| SCHEMBL3429701 | 0.77 | RAB9A (0.77) | NPC1RAB9ATP53HPGDTSHR |
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 |