Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6668702 | 0.99 | BCL2L1 (0.46) | BCL2L1MCL1ALDH1A1CTSSLTA4H | |
| SCHEMBL6664357 | 0.92 | CTSS (0.44) | BCL2L1MCL1ALDH1A1CTSSKMO | |
| SCHEMBL6675156 | 0.88 | NPC1 (0.53) | ALDH1A1KMONPC1RAB9APPARG | |
| SCHEMBL6667289 | 0.87 | BCL2L1 (0.46) | BCL2L1MCL1ALDH1A1CTSSLTA4H | |
| SCHEMBL3104440 | 0.87 | ALDH1A1 (0.50) | BCL2L1MCL1ALDH1A1CTSS | |
| SCHEMBL3110072 | 0.83 | LDHA (0.54) | BCL2L1MCL1KMONPC1RAB9A | |
| SCHEMBL6672055 | 0.83 | KMT2A (0.50) | ALDH1A1KMONPC1RAB9APPARG | |
| SCHEMBL16284888 | 0.82 | NPC1 (0.60) | KMONPC1RAB9APPARGPPARA | |
| SCHEMBL16284887 | 0.82 | NPC1 (0.60) | KMONPC1RAB9APPARGPPARA | |
| SCHEMBL3101828 | 0.82 | NPC1 (0.60) | KMONPC1RAB9APPARGPPARA |
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 |