Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6204340 | 0.92 | NPSR1 (0.48) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL25827 | 0.90 | ALDH1A1 (0.64) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| Hydrogen Peroxide SCHEMBL28172808 | 0.90 | ALDH1A1 (0.64) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL28085011 | 0.89 | CYP3A4 (0.55) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| Hydrogen Sulfide SCHEMBL28273341 | 0.88 | ALDH1A1 (0.62) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| Water SCHEMBL27786448 | 0.88 | ALDH1A1 (0.62) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| Methyl Alcohol SCHEMBL27283147 | 0.88 | ALDH1A1 (0.62) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6203365 | 0.86 | ALDH1A1 (0.51) | NPSR1CYP3A4ALDH1A1GAARAB9A | |
| Benzophenone SCHEMBL28094864 | 0.85 | ALDH1A1 (0.58) | NPSR1CYP3A4ALDH1A1LMNARAB9A | |
| SCHEMBL6204041 | 0.85 | NPSR1 (0.53) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |