Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL15268735 | 0.85 | FDPS (0.47) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL15268738 | 0.85 | FDPS (0.47) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL7490539 | 0.83 | PRKDC (0.55) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL7490543 | 0.83 | PRKDC (0.55) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL3458624 | 0.82 | HMGCR (0.41) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL3458625 | 0.82 | HMGCR (0.41) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL333574 | 0.80 | HMGCR (0.39) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL333573 | 0.80 | HMGCR (0.39) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL2119648 | 0.80 | HMGCR (0.59) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 | |
| SCHEMBL2119650 | 0.80 | HMGCR (0.59) | HMGCRCYP3A4NFE2L2CYP1A1CYP1B1 |
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-1560837-B1 | NOVEL AMPIPHILIC DERIVATIVES OF ALPHA-C-PHENYL N-TERT-BUTYL NITRONE | TS PHARMA (FR) | 2009-08-05 | — | — | EP | disclosed |
| EP-1560837-A2 | NOVEL AMPIPHILIC DERIVATIVES OF ALPHA-C-PHENYL N-TERT-BUTYL NITRONE | TS Pharma (FR) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004043982-A2 | NOVEL AMPIPHILIC DERIVATIVES OF ALPHA-C-PHENYL N-TERT-BUTYL NITRONE | TS PHARMA (FR) | 2004-05-27 | — | — | WO | disclosed |