Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.60 |
| ▸ | RAB9A | P51151 | 12/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.60 |
| ▸ | MAPT | P10636 | 7/20 | 0.60 |
| ▸ | TP53 | P04637 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.54 |
| ▸ | RELA | Q04206 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1608540 | 0.94 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL1608528 | 0.91 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL1249937 | 0.81 | MAPT (0.60) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL1250873 | 0.78 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL1608448 | 0.76 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL12420362 | 0.74 | NPC1 (0.88) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL26093743 | 0.72 | RAB9A (0.79) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL28664805 | 0.71 | ADORA3 (0.52) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL12586868 | 0.71 | HSD17B1 (0.55) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL12692350 | 0.70 | NPC1 (0.86) | NPC1RAB9ASMN1; SMN2MAPTTP53 |
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-2285789-A1 | NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES | Merck Sharp & Dohme Corp. (US) | 2011-02-23 | — | — | EP | claimed |
| WO-2009146343-A1 | NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES | MERCK & CO., INC. (US) | 2009-12-03 | — | — | WO | claimed |