Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649451 | 0.93 | ALDH1A1 (0.37) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL3101686 | 0.90 | MAPT (0.46) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL3656735 | 0.89 | MAPT (0.39) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL3657321 | 0.87 | EEF2K (0.36) | ALDH1A1KDM4EHSD17B10MAPK8MAPK9 | |
| SCHEMBL3649435 | 0.87 | ALDH1A1 (0.38) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL3655988 | 0.84 | ALDH1A1 (0.36) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL3657488 | 0.84 | EEF2K (0.35) | ALDH1A1KDM4EHSD17B10TLR7PKM | |
| SCHEMBL3407433 | 0.82 | ADORA2A (0.33) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL3090523 | 0.82 | MAPT (0.49) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL3656837 | 0.80 | ALDH1A1 (0.40) | ALDH1A1MAPTHPGDMEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2197886-A1 | 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS | Merck Patent GmbH (DE) | 2010-06-23 | — | — | EP | claimed |
| WO-2009049743-A1 | 5-CYANO-THIENOPYRIDINES FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2009-04-23 | — | — | WO | claimed |