Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.53 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.48 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28366248 | 0.85 | NPC1 (0.61) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL9519194 | 0.85 | NPC1 (0.61) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL10727765 | 0.81 | NPC1 (0.58) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL9113684 | 0.81 | NPC1 (0.58) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL8429792 | 0.81 | NPC1 (0.58) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL9113688 | 0.81 | NPC1 (0.58) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL8429791 | 0.81 | NPC1 (0.58) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL24554791 | 0.79 | CES2 (0.58) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL27518550 | 0.79 | NPC1 (0.54) | NPC1RAB9ACES2CES1PARP1 | |
| SCHEMBL14605005 | 0.79 | NPC1 (0.54) | NPC1RAB9ACES2CES1PARP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973546-A2 | CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS | Merck & Co., Inc. (US) | 2008-10-01 | — | — | EP | disclosed |
| EP-1971595-A2 | CETP INHIBITORS | Merck & Co., Inc. (US) | 2008-09-24 | — | — | EP | disclosed |
| EP-1942904-A2 | CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS | Merck & Co., Inc. (US) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007081570-A2 | CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS | MERCK & CO., INC. (US) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007081569-A2 | CETP INHIBITORS | MERCK & CO., INC. (US) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007041494-A2 | CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS | MERCK & CO., INC. (US) | 2007-04-12 | — | — | WO | disclosed |
| EP-1765793-A1 | CETP INHIBITORS | Merck and Co., Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006014357-A1 | CETP INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |
| WO-2006014413-A1 | CETP INHIBITORS | MERCK & CO., INC. (US) | 2006-02-09 | — | — | WO | disclosed |