Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8658479 | 0.91 | ALDH1A1 (0.57) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6203513 | 0.85 | NPSR1 (0.58) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL8086436 | 0.80 | PPARA (0.49) | CYP3A4ALDH1A1CYP2D6LMNAMEN1 | |
| SCHEMBL6223942 | 0.79 | NPSR1 (0.65) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6204340 | 0.77 | NPSR1 (0.48) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL11603578 | 0.77 | ALDH1A1 (0.54) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL21852160 | 0.76 | CYP3A4 (0.64) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6202669 | 0.76 | CYP3A4 (0.64) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| Alcohol SCHEMBL27529137 | 0.76 | ALDH1A1 (0.57) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL12135182 | 0.75 | LMNA (0.76) | 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 |