Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL6203513 | 0.92 | NPSR1 (0.58) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL27628005 | 0.88 | TDP1 (0.43) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6201259 | 0.84 | ALDH1A1 (0.47) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6202201 | 0.84 | CES2 (0.41) | CYP3A4KMT2AALDH1A1LMNACES2 | |
| SCHEMBL24327746 | 0.81 | KEAP1 (0.46) | NPSR1ALDH1A1LMNASMN1; SMN2RAB9A | |
| SCHEMBL6203941 | 0.81 | NPSR1 (0.54) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL28085011 | 0.80 | CYP3A4 (0.55) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| Hydrogen Peroxide SCHEMBL28172808 | 0.80 | ALDH1A1 (0.64) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL25827 | 0.80 | ALDH1A1 (0.64) | NPSR1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| Methyl Alcohol SCHEMBL27283147 | 0.79 | ALDH1A1 (0.62) | 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 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 |
| US-6967081-B1 | Method for prediction of bone fractures by osteocalcin measurements | KAEKOENEN SANNA-MARIA | 2005-11-22 | — | — | 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 |