Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | JAK1 | P23458 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4196215 | 0.83 | CES2 (0.52) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL14397447 | 0.82 | PTPN1 (0.61) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL6381436 | 0.82 | SMN1; SMN2 (0.53) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL28655525 | 0.80 | HDAC1 (0.49) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL21382648 | 0.79 | HDAC1 (0.55) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL7905175 | 0.78 | CES2 (0.56) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL8766718 | 0.78 | PTPN1 (0.67) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL30354087 | 0.78 | PTPN1 (0.67) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL8086233 | 0.77 | HDAC1 (0.47) | CES2CES1HDAC1HDAC8SMN1; SMN2 | |
| SCHEMBL13089410 | 0.76 | HDAC1 (0.64) | CES2CES1HDAC1HDAC8SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2015087094-A1 | NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-06-18 | — | — | WO | disclosed |