Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29056464 | 0.79 | ALDH1A1 (0.54) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL14127160 | 0.79 | CES2 (0.56) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL6549015 | 0.77 | CES2 (0.54) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL13461 | 0.75 | CES2 (0.65) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL22485615 | 0.75 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL23429108 | 0.75 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL60101 | 0.75 | ALDH1A1 (1.00) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL20560336 | 0.75 | ALDH1A1 (0.60) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL5792449 | 0.75 | CES2 (0.52) | ALDH1A1ALOX15CES2CES1GAA | |
| SCHEMBL12077513 | 0.75 | CES2 (0.52) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1686996-A4 | QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2008-11-12 | — | — | EP | disclosed |
| EP-1686996-A1 | QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION | CHIRON CORPORATION (US) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051391-A1 | QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION | CHIRON CORPORATION (US) | 2005-06-09 | — | — | WO | disclosed |