Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 17/20 | 0.64 |
| ▸ | FBP1 | P09467 | 1/20 | 0.61 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL29623474 | 0.97 | EGFR (0.67) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL186330 | 0.97 | EGFR (0.67) | EGFRERBB2HDAC3HDAC4HDAC1 | |
| SCHEMBL29623455 | 0.95 | FBP1 (0.68) | EGFRFBP1ERBB2 | |
| SCHEMBL227415 | 0.95 | FBP1 (0.68) | EGFRFBP1ERBB2 | |
| SCHEMBL118997 | 0.89 | EGFR (0.80) | EGFRFBP1ERBB2 | |
| SCHEMBL29623442 | 0.89 | EGFR (0.80) | EGFRFBP1ERBB2 | |
| SCHEMBL210910 | 0.87 | EGFR (0.83) | EGFRERBB2 | |
| SCHEMBL29623562 | 0.87 | EGFR (0.83) | EGFRERBB2 | |
| SCHEMBL14489882 | 0.86 | EGFR (0.68) | EGFRFBP1ERBB2HDAC3HDAC4 | |
| SCHEMBL380507 | 0.86 | EGFR (0.66) | EGFRERBB2 |
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-2393492-A1 | NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS | Boehringer Ingelheim International GmbH (DE) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010089391-A1 | NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-08-12 | — | — | WO | disclosed |