Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 5/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | LIPE | Q05469 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6532746 | 0.75 | MAPK14 (0.49) | MAPK14TDP1GRM2LIPEMAPT | |
| SCHEMBL20382946 | 0.72 | MAPK14 (0.49) | MAPK14BRD4RXRATDP1LIPE | |
| SCHEMBL8106675 | 0.71 | ALDH1A1 (0.45) | MAPK14BRD4ALDH1A1PTGER1PTGER4 | |
| SCHEMBL11970494 | 0.70 | MAPK14 (0.52) | MAPK14BRD4ALDH1A1TDP1GRM2 | |
| SCHEMBL20382945 | 0.70 | MAPK14 (0.47) | MAPK14BRD4ALDH1A1RXRATDP1 | |
| SCHEMBL8100824 | 0.69 | MAPK14 (0.49) | MAPK14BRD4ALDH1A1TDP1PTGER1 | |
| SCHEMBL2363045 | 0.69 | GRM2 (0.67) | MAPK14ALDH1A1TDP1GRM2LIPE | |
| SCHEMBL16743925 | 0.67 | ALDH1A1 (0.52) | ALDH1A1MAPK1CA9 | |
| SCHEMBL4947232 | 0.67 | MAOB (0.61) | BRD4ALDH1A1RXRATDP1PTGER1 | |
| SCHEMBL16743934 | 0.67 | ALDH1A1 (0.52) | ALDH1A1MAPK1CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3319950-B1 | VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF | UNIV AMIENS PICARDIE JULES VERNE (FR) | 2021-11-03 | — | — | EP | disclosed |