Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6223065 | 0.80 | EGFR (0.66) | CES2CES1ACHESMN1; SMN2KDM4E | |
| SCHEMBL6381436 | 0.79 | SMN1; SMN2 (0.53) | HDAC1HDAC8CES2CES1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4802273 | 0.79 | EGFR (0.67) | CES2CES1ACHESMN1; SMN2KDM4E | |
| SCHEMBL4196215 | 0.77 | CES2 (0.52) | HDAC1HDAC8CES2CES1SMN1; SMN2 | |
| SCHEMBL16795653 | 0.77 | CES2 (0.52) | HDAC1HDAC8CES2CES1SMN1; SMN2 | |
| SCHEMBL187719 | 0.77 | EGFR (0.60) | KDM4EEGFRALDH1A1MEN1MAPT | |
| SCHEMBL21382648 | 0.76 | HDAC1 (0.55) | HDAC1HDAC8CES2CES1SMN1; SMN2 | |
| SCHEMBL14397447 | 0.76 | PTPN1 (0.61) | HDAC1HDAC8CES2CES1SMN1; SMN2 | |
| SCHEMBL5167798 | 0.75 | ACHE (0.51) | ACHESIGMAR1 | |
| SCHEMBL28655525 | 0.74 | HDAC1 (0.49) | HDAC1HDAC8CES2CES1SMN1; SMN2 |
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-0901453-B1 | METHOD FOR ORGANIC REACTIONS | LABWELL AB (SE) | 2000-11-15 | — | — | EP | disclosed |