Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 8/20 | 0.54 |
| ▸ | S1PR5 | Q9H228 | 8/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 6/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13818401 | 0.88 | SRC (0.49) | SRCS1PR5S1PR1S1PR3MEN1 | |
| SCHEMBL4489025 | 0.82 | SRC (0.58) | SRCCYP2D6KMT2A | |
| SCHEMBL5217735 | 0.81 | TSHR (0.49) | S1PR5S1PR1S1PR3MEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4494354 | 0.80 | TSHR (0.48) | S1PR5S1PR1S1PR3MEN1ALDH1A1 | |
| SCHEMBL5455760 | 0.79 | S1PR5 (0.42) | SRCS1PR5S1PR1S1PR3MEN1 | |
| SCHEMBL4481471 | 0.78 | METAP1 (0.45) | SRC | |
| SCHEMBL13818446 | 0.78 | METAP1 (0.45) | SRC | |
| SCHEMBL4484988 | 0.78 | SRC (0.55) | SRC | |
| SCHEMBL4494868 | 0.75 | SRC (0.47) | SRC | |
| SCHEMBL13818390 | 0.73 | SRC (0.54) | SRCKMT2A |
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 |