Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6639356 | 0.84 | KMT2A (0.61) | KMT2AMEN1ALDH1A1GAACES2 | |
| SCHEMBL9301541 | 0.82 | KMT2A (0.58) | KMT2AMEN1ALDH1A1GAACES2 | |
| SCHEMBL10769076 | 0.81 | KMT2A (0.57) | KMT2AMEN1ALDH1A1GAACES2 | |
| SCHEMBL9301197 | 0.81 | ALDH1A1 (0.57) | KMT2AMEN1ALDH1A1GAACES2 | |
| SCHEMBL13226001 | 0.80 | KMT2A (0.63) | KMT2AMEN1ALDH1A1CES2CES1 | |
| SCHEMBL29508878 | 0.79 | KMT2A (0.71) | KMT2AMEN1ALDH1A1CES2CES1 | |
| SCHEMBL297043 | 0.79 | KMT2A (0.71) | KMT2AMEN1ALDH1A1CES2CES1 | |
| SCHEMBL6642132 | 0.78 | GAA (0.62) | KMT2AMEN1ALDH1A1GAAMAPT | |
| SCHEMBL6835145 | 0.78 | KMT2A (0.61) | KMT2AMEN1ALDH1A1CES2CES1 | |
| SCHEMBL21104542 | 0.78 | P4HTM (0.55) | KMT2AMEN1GAAL3MBTL1 |
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 7 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-5597818-A | CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1997-01-28 | — | — | US | disclosed |
| US-5428031-A | Benzodiazepine analogs; cardiovascular disorders | MERCK & CO., INC. (US) | 1995-06-27 | — | — | US | disclosed |
| US-5360802-A | Antagonists of cholecystokinin and gastrin | MERCK SHARPE & DOHME LTD. | 1994-11-01 | — | — | US | disclosed |
| US-5220018-A | Benzodiazepine derivatives | MERCK & CO., INC. (US) | 1993-06-15 | — | — | US | disclosed |
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | disclosed |
| EP-0508796-A1 | Cholecystokinin antagonists | MERCK & CO. INC. (US) | 1992-10-14 | — | — | EP | disclosed |