Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1628784 | 1.00 | ALDH1A1 (0.44) | ALDH1A1TSHRCES2CES1FFAR3 | |
| SCHEMBL2469988 | 0.94 | ALDH1A1 (0.45) | ALDH1A1TSHRCES2CES1 | |
| Propionic Acid SCHEMBL28056967 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TSHRFFAR3HDAC3HDAC1 | |
| SCHEMBL23026 | 0.91 | — | — | |
| SCHEMBL5586920 | 0.91 | ALDH1A1 (0.52) | ALDH1A1TSHRCES2CES1FFAR3 | |
| Acrylonitrile SCHEMBL28882174 | 0.89 | ALDH1A1 (0.36) | ALDH1A1TSHRHSD17B10 | |
| Acetic Acid SCHEMBL8679016 | 0.89 | ALDH1A1 (0.46) | ALDH1A1TSHRCES2CES1FFAR3 | |
| Ethylene SCHEMBL625068 | 0.89 | ALDH1A1 (0.50) | ALDH1A1TSHRCES2CES1FFAR3 | |
| SCHEMBL28067284 | 0.89 | — | — | |
| Allyl Butanoate SCHEMBL28151789 | 0.87 | TSHR (0.57) | ALDH1A1TSHRHPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2478094-A1 | AN ENZYMATICALLY CATALYZED METHOD OF PREPARING MONO-ACYLATED POLYOLS | BASF SE (DE) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011033039-A1 | AN ENZYMATICALLY CATALYZED METHOD OF PREPARING MONO-ACYLATED POLYOLS | BASF SE (DE) | 2011-03-24 | — | — | WO | disclosed |