Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL305061 | 0.83 | CYP2C19 (0.57) | CYP2C19EPHX1LMNACYP2D6SRC | |
| SCHEMBL3355940 | 0.83 | CYP2C19 (0.47) | CYP2C19EPHX1LMNAHSD17B10KCNQ2 | |
| SCHEMBL4444979 | 0.82 | BRD4 (0.55) | CYP2C19LMNAHSD17B10ESR1ESR2 | |
| SCHEMBL1099218 | 0.81 | LMNA (0.58) | LMNAHSD17B10KCNQ2ALDH1A1GAA | |
| SCHEMBL265795 | 0.81 | CYP2C19 (0.46) | CYP2C19EPHX1LMNAHSD17B10ESR1 | |
| SCHEMBL13020177 | 0.81 | LMNA (0.58) | LMNAHSD17B10KCNQ2ALDH1A1GAA | |
| SCHEMBL12087864 | 0.81 | CYP2C19 (0.46) | CYP2C19EPHX1LMNAHSD17B10ESR1 | |
| SCHEMBL7255213 | 0.81 | CYP2C19 (0.46) | CYP2C19EPHX1LMNAHSD17B10KCNQ2 | |
| SCHEMBL13389213 | 0.81 | LMNA (0.58) | LMNAHSD17B10KCNQ2ALDH1A1GAA | |
| SCHEMBL5918571 | 0.79 | GABBR2 (0.50) | CYP2C19EPHX1LMNAHSD17B10ESR1 |
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 |