Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6223942 | 0.91 | NPSR1 (0.65) | NPSR1RAB9AL3MBTL1KEAP1NFE2L2 | |
| SCHEMBL9999769 | 0.89 | NPSR1 (0.56) | NPSR1RAB9AL3MBTL1KEAP1NFE2L2 | |
| SCHEMBL9999774 | 0.89 | NPSR1 (0.56) | NPSR1RAB9AL3MBTL1KEAP1NFE2L2 | |
| SCHEMBL6319785 | 0.83 | CES2 (0.43) | RAB9ATDP1CYP3A4MEN1KMT2A | |
| SCHEMBL6203176 | 0.83 | MEN1 (0.51) | RAB9AL3MBTL1CYP3A4MEN1KMT2A | |
| SCHEMBL6204340 | 0.81 | NPSR1 (0.48) | NPSR1RAB9ATDP1CYP3A4CYP2C19 | |
| SCHEMBL6203442 | 0.81 | NPSR1 (0.48) | NPSR1RAB9ATDP1CYP3A4CYP2C19 | |
| SCHEMBL11543333 | 0.80 | NPSR1 (0.47) | NPSR1RAB9ATDP1CYP3A4CYP2C19 | |
| SCHEMBL11870460 | 0.80 | NPSR1 (0.47) | NPSR1RAB9ATDP1CYP3A4CYP2C19 | |
| SCHEMBL9999768 | 0.80 | ALDH1A1 (0.51) | NPSR1RAB9AL3MBTL1CYP3A4MEN1 |
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 4 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 |
| EP-0269573-A2 | Liquid photoinitiating mixture | CIBA-GEIGY AG (CH) | 1988-06-01 | — | — | EP | disclosed |