Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 4/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4788032 | 0.87 | NTRK1 (0.39) | AKR1B10PARP1NTRK1NTRK2ALDH1A1 | |
| SCHEMBL4747721 | 0.82 | KDM4C (0.41) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL4787999 | 0.80 | MAPT (0.39) | AKR1B10PARP1ALDH1A1KDM4EMAPT | |
| SCHEMBL5815996 | 0.79 | ALDH1A1 (0.37) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL4751131 | 0.78 | KDM4C (0.38) | ALDH1A1NPC1RAB9ATP53KDM4E | |
| SCHEMBL27778077 | 0.76 | ALDH1A1 (0.40) | AKR1B10ALDH1A1HSD17B10DHODH | |
| SCHEMBL4788527 | 0.75 | MAPK14 (0.42) | TP53MAPT | |
| SCHEMBL4747281 | 0.71 | EGFR (0.46) | ALDH1A1TP53MAPTHSD17B10 | |
| SCHEMBL27778063 | 0.70 | MAPK14 (0.40) | KDM4EHSD17B10KDM4C | |
| SCHEMBL4750216 | 0.69 | GRIA1 (0.40) | NTRK2ALDH1A1NPC1RAB9ATP53 |
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 |