Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5373797 | 0.86 | ALDH1A1 (0.47) | ALDH1A1RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL5387884 | 0.84 | KLKB1 (0.41) | ALDH1A1RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL6156589 | 0.79 | ALDH1A1 (0.49) | ALDH1A1RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL5382686 | 0.78 | ALDH1A1 (0.41) | ALDH1A1RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL5381554 | 0.76 | HDAC1 (0.46) | ALDH1A1RAB9ANPC1TSHRMAPT | |
| SCHEMBL5383041 | 0.76 | HDAC1 (0.53) | ALDH1A1RAB9ASMN1; SMN2NPC1MAPT | |
| SCHEMBL5376618 | 0.74 | HDAC1 (0.42) | ALDH1A1RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL5385880 | 0.73 | ALDH1A1 (0.46) | ALDH1A1RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL3371234 | 0.73 | RAB9A (0.54) | ALDH1A1RAB9ASMN1; SMN2NPC1TSHR | |
| SCHEMBL5377258 | 0.73 | ALDH1A1 (0.48) | ALDH1A1RAB9ASMN1; SMN2NPC1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7179823-B1 | 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-20 | — | — | US | disclosed |
| EP-1457490-A1 | 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity | Takeda Chemical Industries, Ltd. (JP) | 2004-09-15 | — | — | EP | disclosed |
| EP-1228067-B1 | 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2004-07-14 | — | — | EP | disclosed |