Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.41 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.41 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2907783 | 0.82 | BRD4 (0.53) | BRD4POLBESR1ESR2CYP2C9 | |
| SCHEMBL8217885 | 0.82 | BRD4 (0.53) | BRD4POLBESR1ESR2CYP2C9 | |
| SCHEMBL4436342 | 0.82 | CYP2C19 (0.44) | POLBESR1ESR2CYP2C19CYP2D6 | |
| SCHEMBL9231726 | 0.82 | POLB (0.56) | BRD4POLBCYP2C9CYP2C19KMT2A | |
| SCHEMBL12219064 | 0.79 | BRD4 (0.50) | BRD4POLBESR1ESR2CYP2C9 | |
| SCHEMBL12188470 | 0.79 | BRD4 (0.50) | BRD4POLBESR1ESR2CYP2C9 | |
| SCHEMBL13011557 | 0.77 | BRD4 (0.47) | BRD4POLBESR1ESR2CYP2C9 | |
| SCHEMBL684422 | 0.77 | BRD4 (0.47) | BRD4POLBESR1ESR2CYP2C9 | |
| SCHEMBL684403 | 0.77 | BRD4 (0.47) | BRD4POLBL3MBTL1KMT2AMEN1 | |
| SCHEMBL684107 | 0.77 | BRD4 (0.47) | BRD4POLBL3MBTL1KMT2AMEN1 |
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-2134692-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | Wyeth a Corporation of the State of Delaware (US) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008121817-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | WYETH (US) | 2008-10-09 | — | — | WO | disclosed |