Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | KMO | O15229 | 1/20 | 0.59 |
| ▸ | PPARG | P37231 | 2/20 | 0.57 |
| ▸ | PPARA | Q07869 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | CPA1 | P15085 | 3/20 | 0.55 |
| ▸ | CPB1 | P15086 | 1/20 | 0.55 |
| ▸ | CPA3 | P15088 | 1/20 | 0.55 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | LDHA | P00338 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3101828 | 1.00 | NPC1 (0.60) | NPC1RAB9AKMOPPARGPPARA | |
| SCHEMBL16284887 | 1.00 | NPC1 (0.60) | NPC1RAB9AKMOPPARGPPARA | |
| SCHEMBL16284888 | 1.00 | NPC1 (0.60) | NPC1RAB9AKMOPPARGPPARA | |
| SCHEMBL6675156 | 0.94 | NPC1 (0.53) | NPC1RAB9AKMOPPARGPPARA | |
| SCHEMBL6672055 | 0.88 | KMT2A (0.50) | NPC1RAB9AKMOPPARGPPARA | |
| SCHEMBL3104154 | 0.88 | KMT2A (0.68) | KMOPPARGPPARALDHAKMT2A | |
| SCHEMBL3110072 | 0.88 | LDHA (0.54) | NPC1RAB9AKMOPPARGPPARA | |
| SCHEMBL6674722 | 0.85 | KMO (0.57) | NPC1RAB9AKMOPPARGPPARA | |
| SCHEMBL6177184 | 0.85 | CYP1A2 (0.69) | PPARGPPARACPA1CPB1CPA3 | |
| SCHEMBL3104186 | 0.85 | TSHR (0.75) | KMOCPA1CPB1CPA3CPB2 |
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-1458412-A1 | PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-GLUCOSIDASE INHIBITOR AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES | MERCK PATENT GmbH (DE) | 2004-09-22 | — | — | EP | claimed |
| WO-2003055523-A1 | PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-GLUCOSIDASE INHIBITOR AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES | MERCK PATENT GMBH (DE) | 2003-07-10 | — | — | WO | claimed |