Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21293246 | 0.75 | — | — | |
| SCHEMBL11211920 | 0.73 | PDE3B (0.36) | — | |
| SCHEMBL4062266 | 0.71 | L3MBTL1 (0.48) | CYP2C19 | |
| SCHEMBL9261442 | 0.71 | — | — | |
| SCHEMBL16673433 | 0.71 | — | — | |
| SCHEMBL21293600 | 0.68 | CAPN1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL28852541 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL2086627 | 0.68 | TDP1 (0.42) | CYP2C19BLM | |
| SCHEMBL2007885 | 0.68 | — | — | |
| SCHEMBL16673303 | 0.67 | L3MBTL1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |