Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 3/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | PLK4 | O00444 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2532883 | 0.87 | CYP2C19 (0.43) | CYP2C19KMOBRD4CREBBPCYP3A4 | |
| SCHEMBL2534808 | 0.84 | CYP2C19 (0.40) | CYP2C19KMOBRD4CREBBPCYP3A4 | |
| SCHEMBL15509690 | 0.84 | CYP2C19 (0.42) | CYP2C19KMOFAAHBRD4CREBBP | |
| SCHEMBL15509906 | 0.84 | CYP2C19 (0.42) | CYP2C19KMOFAAHBRD4CREBBP | |
| SCHEMBL14331219 | 0.84 | CYP2C19 (0.41) | CYP2C19KMOBRD4CREBBPCYP3A4 | |
| SCHEMBL15509496 | 0.83 | CYP2C19 (0.42) | CYP2C19KMOFAAHBRD4CREBBP | |
| SCHEMBL15509838 | 0.83 | CYP2C19 (0.42) | CYP2C19KMOFAAHBRD4CREBBP | |
| SCHEMBL15510211 | 0.81 | CYP2C19 (0.42) | CYP2C19KMOFAAHBRD4CREBBP | |
| SCHEMBL2531383 | 0.80 | CYP2C19 (0.43) | CYP2C19KMOBRD4CREBBPCYP3A4 | |
| SCHEMBL2531552 | 0.79 | CYP2C19 (0.39) | CYP2C19BRD4CREBBPCYP3A4AKR1C3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558449-B1 | NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2014-03-05 | — | — | EP | claimed |