Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.39 |
| ▸ | JAK2 | O60674 | 6/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4750235 | 0.77 | RAD51 (0.43) | ALDH1A1NPC1RAB9AMAPTMAPK14 | |
| SCHEMBL28065520 | 0.77 | PDE3B (0.44) | GRIA1NPC1RAB9AMAPK14MAPK13 | |
| SCHEMBL4243560 | 0.75 | CHEK1 (0.41) | ALDH1A1RAB9AKDM4EHPGDADORA2A | |
| SCHEMBL4747721 | 0.73 | KDM4C (0.41) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL12960747 | 0.72 | CHEK1 (0.46) | ALDH1A1ADORA2AADORA1JAK2CHEK1 | |
| SCHEMBL5815996 | 0.70 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL13753079 | 0.70 | JAK2 (0.39) | ALDH1A1KDM4EMAPTHPGDADORA2A | |
| SCHEMBL4786704 | 0.69 | AKR1B10 (0.40) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL4751131 | 0.69 | KDM4C (0.38) | GRIA1ALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL22093860 | 0.68 | JAK2 (0.44) | JAK2CHEK1RPS6KA3JAK3MELK |
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 |
|---|---|---|---|---|---|---|---|
| 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-2006112666-A1 | PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SK CHEMICALS CO., LTD. (KR) | 2006-10-26 | — | — | 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 |
| WO-2006112666-A1 | PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | SK CHEMICALS CO., LTD. (KR) | 2006-10-26 | — | — | WO | disclosed |