Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7027698 | 0.79 | PRSS1 (0.44) | KMT2AMEN1ALDH1A1CNR2MAPT | |
| SCHEMBL5162803 | 0.77 | HDAC3 (0.48) | KMT2AMEN1ALDH1A1HDAC3GAA | |
| SCHEMBL5160702 | 0.76 | TRPA1 (0.40) | CNR2CYP3A4MAPT | |
| SCHEMBL18825667 | 0.76 | GAA (0.48) | KMT2AMEN1ALDH1A1HDAC3GAA | |
| SCHEMBL18825668 | 0.76 | GAA (0.48) | KMT2AMEN1ALDH1A1HDAC3GAA | |
| SCHEMBL19097833 | 0.76 | ALDH1A1 (0.42) | KMT2AMEN1ALDH1A1GAAPOLB | |
| SCHEMBL5160036 | 0.75 | MAOB (0.42) | KMT2AALDH1A1GAACNR2TSHR | |
| SCHEMBL23148484 | 0.75 | ALDH1A1 (0.62) | KMT2AMEN1ALDH1A1HDAC3GAA | |
| SCHEMBL3033757 | 0.74 | GPR84 (0.52) | MAPT | |
| SCHEMBL5160652 | 0.74 | GPR84 (0.37) | CNR2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |