Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.44 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL167016 | 0.85 | L3MBTL1 (0.58) | ACHECA1CA2CA7CA9 | |
| SCHEMBL29782607 | 0.85 | L3MBTL1 (0.58) | ACHECA1CA2CA7CA9 | |
| SCHEMBL27295380 | 0.83 | MAPT (0.57) | ACHECA1CA2CA7CA9 | |
| SCHEMBL8408204 | 0.83 | ACHE (0.52) | ACHECA1CA2CA7CA9 | |
| SCHEMBL146154 | 0.83 | ACHE (0.52) | ACHECA1CA2CA7CA9 | |
| SCHEMBL14920642 | 0.82 | ALDH1A1 (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL14191200 | 0.82 | ACHE (0.47) | ACHECA1CA2CA7CA9 | |
| SCHEMBL13019342 | 0.82 | KIF11 (0.47) | ACHECA1CA2CA7CA9 | |
| SCHEMBL23838094 | 0.81 | HSD11B1 (0.50) | ACHECA1CA2CA7CA9 | |
| SCHEMBL21087697 | 0.81 | HSD11B1 (0.50) | ACHECA1CA2CA7CA9 |
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-2773210-A1 | PROCESS FOR A CETP INHIBITOR | Merck Sharp & Dohme Corp. (US) | 2014-09-10 | — | — | EP | disclosed |
| WO-2013066768-A1 | PROCESS FOR A CETP INHIBITOR | MERCK SHARP & DOHME CORP. (US) | 2013-05-10 | — | — | WO | disclosed |