Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 5/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
| ▸ | HLCS | P50747 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22468175 | 0.94 | CYP1A2 (0.46) | CYP1A2ALOX5ALDH1A1L3MBTL1CCR2 | |
| SCHEMBL22468189 | 0.94 | CYP1A2 (0.46) | CYP1A2ALOX5ALDH1A1L3MBTL1CCR2 | |
| SCHEMBL3060805 | 0.86 | NOS3 (0.37) | CYP1A2ALOX5SIRT2SIRT1SIRT3 | |
| SCHEMBL26644803 | 0.83 | TLR4 (0.41) | CYP1A2ALDH1A1CCR2NAAA | |
| SCHEMBL29632519 | 0.80 | CYP1A2 (0.46) | CYP1A2ALDH1A1L3MBTL1CCR2NAAA | |
| SCHEMBL28437706 | 0.80 | CYP1A2 (0.46) | CYP1A2ALDH1A1L3MBTL1CCR2NAAA | |
| SCHEMBL4414563 | 0.79 | OR51E2 (0.38) | — | |
| SCHEMBL9342752 | 0.78 | CYP1A2 (0.47) | CYP1A2ALDH1A1L3MBTL1CCR2NAAA | |
| SCHEMBL5385959 | 0.78 | CYP1A2 (0.47) | CYP1A2ALDH1A1L3MBTL1CCR2NAAA | |
| SCHEMBL5385955 | 0.78 | CYP1A2 (0.47) | CYP1A2ALDH1A1L3MBTL1CCR2NAAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018127379-A1 | LACTAMS FROM RENEWABLE RESOURCES AND POLYAMIDES DERIVED THEREOF | RHODIA OPERATIONS (FR) | 2018-07-12 | — | — | WO | disclosed |