Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7851780 | 0.85 | L3MBTL1 (0.41) | L3MBTL1NPC1CES1MAPTHTT | |
| SCHEMBL6938598 | 0.82 | L3MBTL1 (0.39) | L3MBTL1NPC1CES1MAPTHTT | |
| SCHEMBL8989984 | 0.81 | CES1 (0.41) | L3MBTL1NPC1CES1MAPTHTT | |
| SCHEMBL5564543 | 0.81 | L3MBTL1 (0.38) | L3MBTL1NPC1CES1MAPTHTT | |
| SCHEMBL1828048 | 0.78 | L3MBTL1 (0.41) | L3MBTL1NPC1CES1MAPTHTT | |
| SCHEMBL7782761 | 0.77 | L3MBTL1 (0.36) | L3MBTL1NPC1MAPTHTTALOX15 | |
| SCHEMBL3165913 | 0.77 | — | — | |
| SCHEMBL4621722 | 0.77 | NPC1 (0.40) | L3MBTL1NPC1CES1MAPTHTT | |
| SCHEMBL28014454 | 0.75 | NPC1 (0.42) | L3MBTL1NPC1CES1MAPTHTT | |
| Hydrazine SCHEMBL28754327 | 0.75 | NPC1 (0.37) | L3MBTL1NPC1CES1MAPTHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0508796-B1 | Cholecystokinin antagonists | MERCK & CO INC (US) | 1998-07-08 | — | — | EP | disclosed |
| US-5220018-A | Benzodiazepine derivatives | MERCK & CO., INC. (US) | 1993-06-15 | — | — | US | disclosed |
| EP-0508796-A1 | Cholecystokinin antagonists | MERCK & CO. INC. (US) | 1992-10-14 | — | — | EP | disclosed |
| US-4628084-A | AMIDATION, AMMONIATION, CONDENSATION | MERCK & CO., INC. (US) | 1986-12-09 | — | — | US | disclosed |