Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | RAB9A | P51151 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1976587 | 1.00 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL9005346 | 0.80 | RAB9A (0.55) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL4581966 | 0.76 | KMT2A (0.57) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL28176335 | 0.74 | TDP1 (0.50) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL26910312 | 0.74 | TDP1 (0.50) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL12426307 | 0.71 | GAA (0.82) | NPC1RAB9ASMN1; SMN2PKMGAA | |
| SCHEMBL11601853 | 0.71 | NPSR1 (0.49) | NPC1RAB9ASMN1; SMN2GAACYP1A2 | |
| SCHEMBL11601850 | 0.71 | NPSR1 (0.49) | NPC1RAB9ASMN1; SMN2GAACYP1A2 | |
| SCHEMBL4729346 | 0.71 | CYP1A2 (0.48) | NPC1RAB9ASMN1; SMN2PKMTP53 | |
| SCHEMBL4728039 | 0.71 | CYP2C9 (0.48) | NPC1RAB9ASMN1; SMN2PKMTP53 |
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-1912979-B1 | PHENYL-{3-(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2011-06-22 | — | — | EP | disclosed |