Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16795666 | 1.00 | ALDH1A1 (0.48) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL11216478 | 0.84 | MEN1 (0.36) | ALDH1A1ALOX15CES2CES1MEN1 | |
| SCHEMBL6920215 | 0.82 | CES2 (0.50) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL28370184 | 0.82 | CES2 (0.50) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL4787890 | 0.82 | CES2 (0.50) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL1120708 | 0.78 | CES2 (0.46) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL1120706 | 0.78 | CES2 (0.46) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL17607029 | 0.78 | CES2 (0.46) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL18554814 | 0.78 | ALDH1A1 (0.53) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL149580 | 0.78 | ALDH1A1 (0.53) | ALDH1A1ALOX15CES2CES1GAA |
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 |