Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 7/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | DHODH | Q02127 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | FASN | P49327 | 3/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14972249 | 1.00 | DGAT1 (0.49) | DGAT1KCNH2DHODHNPC1ALDH1A1 | |
| SCHEMBL14972233 | 0.91 | DGAT1 (0.45) | DGAT1KCNH2DHODHADORA2A | |
| SCHEMBL14972187 | 0.90 | DGAT1 (0.59) | DGAT1KCNH2DHODHADORA2AHDAC6 | |
| SCHEMBL14972251 | 0.88 | DGAT1 (0.53) | DGAT1KCNH2DHODHNPC1MKNK1 | |
| SCHEMBL14971564 | 0.88 | DGAT1 (0.51) | DGAT1KCNH2DHODHNPC1ALDH1A1 | |
| SCHEMBL14969203 | 0.88 | ALDH1A1 (0.45) | DGAT1KCNH2DHODHNPC1ALDH1A1 | |
| SCHEMBL14972256 | 0.87 | DGAT1 (0.49) | DGAT1KCNH2DHODHNPC1RAB9A | |
| SCHEMBL14971563 | 0.87 | DGAT1 (0.47) | DGAT1KCNH2DHODHADORA2A | |
| SCHEMBL14971609 | 0.87 | DGAT1 (0.47) | DGAT1KCNH2DHODHADORA2A | |
| SCHEMBL14969219 | 0.87 | DGAT1 (0.47) | DGAT1KCNH2DHODHADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013074387-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |
| WO-2013074387-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |