Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8412051 | 0.80 | CYP2C19 (0.44) | CYP2C19NPSR1DGAT1ALDH1A1POLB | |
| SCHEMBL17674169 | 0.77 | CYP2C19 (0.42) | CYP2C19NPSR1DGAT1ALDH1A1POLB | |
| SCHEMBL11804056 | 0.75 | FBP1 (0.44) | ALDH1A1TSHR | |
| SCHEMBL2123683 | 0.75 | CYP2C19 (0.41) | CYP2C19NPSR1DGAT1ALDH1A1POLB | |
| SCHEMBL23829928 | 0.73 | CYP2C19 (0.40) | CYP2C19NPSR1DGAT1ALDH1A1POLB | |
| SCHEMBL10574153 | 0.73 | CYP2C19 (0.40) | CYP2C19NPSR1DGAT1ALDH1A1POLB | |
| SCHEMBL5593709 | 0.70 | — | — | |
| SCHEMBL20500830 | 0.70 | — | — | |
| SCHEMBL22804847 | 0.70 | NPSR1 (0.39) | CYP2C19NPSR1DGAT1ALDH1A1POLB | |
| SCHEMBL10418960 | 0.70 | ALDH1A1 (0.45) | CYP2C19NPSR1DGAT1ALDH1A1POLB |
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-2009024613-A1 | TETRACYCLIC INDOLOPYRIDINES AS EG5 INHIBITORS | 4SC AG (DE) | 2009-02-26 | — | — | WO | disclosed |
| EP-0367019-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-05-12 | — | — | EP | disclosed |
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |
| EP-0280951-A1 | Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates | Roche Diagnostics GmbH (DE) | 1988-09-07 | — | — | EP | disclosed |