Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.38 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 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 | |
|---|---|---|---|---|
| SCHEMBL4747756 | 0.84 | HRH3 (0.39) | KCNH2ALDH1A1KDM4EHPGDADORA2A | |
| SCHEMBL4747297 | 0.83 | HRH3 (0.42) | GABRG2GABRB3GABRA5KCNH2ALDH1A1 | |
| SCHEMBL4785722 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KDM4EHPGDADORA2AADORA1 | |
| SCHEMBL4750242 | 0.82 | HRH3 (0.58) | KCNH2HRH3 | |
| SCHEMBL4750215 | 0.82 | PDGFRB (0.42) | GABRG2GABRB3GABRA5KCNH2ALDH1A1 | |
| SCHEMBL4788529 | 0.80 | HTR2A (0.38) | KCNH2ALDH1A1KDM4EADORA2AADORA1 | |
| SCHEMBL4786612 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HPGDADORA2AADORA1MAPK14 | |
| SCHEMBL4747888 | 0.80 | MAPK13 (0.49) | ALDH1A1KDM4EHPGDADORA2AADORA1 | |
| SCHEMBL4788585 | 0.79 | CASP3 (0.43) | ADORA2AADORA1MAPK14NPC1MAPT | |
| SCHEMBL4788225 | 0.79 | HRH3 (0.38) | GABRG2GABRB3GABRA5KCNH2MAPK9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008123755-A1 | A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA | SK CHEMICALS CO., LTD. (KR) | 2008-10-16 | — | — | WO | claimed |
| WO-2008123755-A1 | A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA | SK CHEMICALS CO., LTD. (KR) | 2008-10-16 | — | — | WO | disclosed |