Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | LAP3 | P28838 | 3/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 7/20 | 0.47 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.42 |
| ▸ | PLA2G5 | P39877 | 2/20 | 0.42 |
| ▸ | GRN | P28799 | 1/20 | 0.42 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.42 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30211920 | 0.88 | ALDH1A1 (0.64) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL30164504 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL27877720 | 0.83 | ALDH1A1 (0.64) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL28822131 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL27800336 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL818701 | 0.81 | ALDH1A1 (0.61) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL818702 | 0.81 | ALDH1A1 (0.61) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL7450904 | 0.81 | ALDH1A1 (0.61) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL28479064 | 0.80 | ALDH1A1 (0.55) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL31146615 | 0.80 | MME (0.58) | ALDH1A1MEN1LMNAKMT2AMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4695544-A | Process for the preparation of cholecystokinin antagonists | MERCK & CO., INC. (US) | 1987-09-22 | — | — | US | disclosed |
| US-4530790-A | Cholecystokinin antagonists | MERCK & CO., INC. (US) | 1985-07-23 | — | — | US | disclosed |
| EP-0116150-A2 | Pharmaceutically active heterocyclic compounds containing at least four ring-nitrogen atoms, their preparation and fermentation broths of ASPERGILLUS ALLIACEUS ATCC 20655 and 20656 | MERCK & CO. INC. (US) | 1984-08-22 | — | — | EP | disclosed |