Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL9682609 | 1.00 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL19071788 | 1.00 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL9714884 | 0.82 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL11070563 | 0.82 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL14518002 | 0.82 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL566633 | 0.82 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL1348805 | 0.82 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL11070560 | 0.82 | CES2 (0.46) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL11080951 | 0.79 | POLB (0.65) | CES2CES1TSHRALOX15CA1 | |
| SCHEMBL8303787 | 0.79 | POLB (0.65) | CES2CES1TSHRALOX15CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5169958-A | Reacting, 3-amino-2-propen-1-ones with magnesium halide in solvent | BASF AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |
| EP-0480242-A2 | Method for the production of alpha,beta-unsaturated carbonyl compounds | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |