Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6604138 | 0.85 | CES2 (0.57) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL3247401 | 0.77 | CES2 (0.57) | CES2CES1ALDH1A1KMT2ARAB9A | |
| SCHEMBL3199166 | 0.77 | CES2 (0.60) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL4707495 | 0.76 | CES2 (0.54) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL17118592 | 0.75 | CES2 (0.44) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL28754042 | 0.75 | VCP (0.57) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL19332963 | 0.75 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL6934144 | 0.75 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL6604112 | 0.74 | CES2 (0.55) | CES2CES1ALDH1A1GAAHPGD | |
| SCHEMBL6605209 | 0.73 | POLB (0.37) | CES2CES1NPC1SMN1; SMN2MAPT |
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-0543919-B1 | USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES | SEARLE & CO (US) | 1996-04-10 | — | — | EP | claimed |