Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 12/20 | 0.49 |
| ▸ | CASP1 | P29466 | 4/20 | 0.39 |
| ▸ | CASP8 | Q14790 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5217351 | 0.85 | SRC (0.48) | SRCCASP1CASP8SIGMAR1 | |
| SCHEMBL4489025 | 0.84 | SRC (0.58) | SRCCASP1CASP8 | |
| SCHEMBL13818394 | 0.84 | SRC (0.49) | SRCCASP1CASP8 | |
| SCHEMBL4494868 | 0.84 | SRC (0.47) | SRCCASP1CASP8 | |
| SCHEMBL4484988 | 0.80 | SRC (0.55) | SRCCASP1CASP8SIGMAR1 | |
| SCHEMBL5220593 | 0.77 | SRC (0.36) | SRC | |
| Hydrochloric Acid SCHEMBL4492492 | 0.76 | SRC (0.36) | SRC | |
| SCHEMBL4488508 | 0.75 | SRC (0.54) | SRC | |
| SCHEMBL5452631 | 0.74 | SRC (0.36) | SRCBACE1 | |
| SCHEMBL4505983 | 0.74 | METAP1 (0.46) | SRC |
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-7550453-B2 | Anticancer agents; colon cancer or hepatocellular carcinoma; analogs of bengamide where the caprolactam ring is changed and/or substituted e.g. N-(2-Methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide | AVENTIS PHARMA SA (FR) | 2009-06-23 | — | — | US | disclosed |
| EP-1819679-A2 | 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF | Aventis Pharma S.A. (FR) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006056696-A2 | 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF | AVENTIS PHARMA S.A. (FR) | 2006-06-01 | — | — | WO | disclosed |