Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 8/20 | 0.40 |
| ▸ | CES1 | P23141 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28225221 | 0.89 | ALDH1A1 (0.56) | ALDH1A1HSD17B10LMNACES2FAAH | |
| Ethyl Acetate SCHEMBL28171309 | 0.87 | ALDH1A1 (0.61) | ALDH1A1HSD17B10LMNACES2TSHR | |
| Ethyl Acetate SCHEMBL6819747 | 0.87 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNACES2TSHR | |
| Trifluoroacetic Acid SCHEMBL28053749 | 0.85 | CES2 (0.55) | ALDH1A1HSD17B10CES2TSHRFAAH | |
| Trifluoroacetic Acid SCHEMBL1517904 | 0.85 | ALDH1A1 (0.67) | ALDH1A1HSD17B10LMNACES2TSHR | |
| Trifluoroacetic Acid SCHEMBL28245600 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HSD17B10LMNACES2TSHR | |
| Trifluoroacetic Acid SCHEMBL28645679 | 0.83 | ALDH1A1 (0.64) | ALDH1A1HSD17B10LMNACES2TSHR | |
| Trichloroacetic Acid SCHEMBL8808827 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HSD17B10LMNACES2TSHR | |
| Ethyl Acetate SCHEMBL27679826 | 0.82 | ALDH1A1 (0.59) | ALDH1A1HSD17B10LMNACES2TSHR | |
| Ethyl Acetate SCHEMBL27465294 | 0.82 | ALDH1A1 (0.59) | ALDH1A1HSD17B10LMNACES2TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4439611-A | Isolation of [S-(R*, S*]-1-(3-acetylthio-3-benzoyl-2-methylpropionyl)-L-proline from a diastereomeric mixture | AMERICAN CYANAMID COMPANY (US) | 1984-03-27 | — | — | US | disclosed |