Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9443864 | 0.82 | CYP2A6 (0.33) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL2785643 | 0.81 | CYP2A6 (0.42) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL28906946 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL30047516 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL15351713 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL15352066 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL15109051 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL29450253 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL4123829 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL20048735 | 0.77 | ALDH1A1 (0.44) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 |
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-9745406-B2 | Curable composition | CEMEDINE CO., LTD. (JP) | 2017-08-29 | — | — | US | disclosed |
| EP-2412756-B1 | CURABLE COMPOSITION | CEMEDINE CO LTD (JP) | 2016-12-21 | — | — | EP | disclosed |
| EP-2412756-A1 | CURABLE COMPOSITION | CEMEDINE CO., LTD. (JP) | 2012-02-01 | — | — | EP | disclosed |
| US-20120004371-A1 | CURABLE COMPOSITION | CEMEDINE CO., LTD. (JP) | 2012-01-05 | — | — | US | disclosed |