Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 6/20 | 0.59 |
| ▸ | AURKA | O14965 | 9/20 | 0.56 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.56 |
| ▸ | SRC | P12931 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | PLK4 | O00444 | 1/20 | 0.51 |
| ▸ | PAK4 | O96013 | 1/20 | 0.51 |
| ▸ | JAK2 | O60674 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | JAK1 | P23458 | 3/20 | 0.49 |
| ▸ | TYK2 | P29597 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.49 |
| ▸ | JAK3 | P52333 | 3/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17022901 | 0.80 | AURKA (0.53) | NTRK1AURKAAURKBSRCGSK3B | |
| SCHEMBL174115 | 0.77 | AURKA (0.56) | NTRK1AURKAAURKBSRCGSK3B | |
| SCHEMBL174125 | 0.77 | JAK2 (0.66) | NTRK1AURKAAURKBSRCGSK3B | |
| SCHEMBL173337 | 0.74 | JAK2 (0.52) | NTRK1AURKAAURKBSRCGSK3B | |
| SCHEMBL12430662 | 0.74 | NTRK1 (1.00) | NTRK1AURKAPLK4PAK4NTRK3 | |
| SCHEMBL4056619 | 0.72 | AURKA (1.00) | AURKAAURKB | |
| SCHEMBL3964487 | 0.71 | AURKA (0.53) | NTRK1AURKAAURKBSRCGSK3B | |
| SCHEMBL597730 | 0.70 | AURKA (0.50) | NTRK1AURKAAURKBSRCGSK3B | |
| SCHEMBL1298834 | 0.69 | JAK2 (0.61) | NTRK1AURKAAURKBPLK4PAK4 | |
| SCHEMBL29435815 | 0.69 | AURKA (1.00) | AURKAAURKBSRCGSK3BEIF2AK2 |
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-2663553-B1 | QUINOLINE AND ISOQUINOLINE DERIVATIVES FOR USE AS JAK MODULATORS | AMBIT BIOSCIENCES CORP (US) | 2015-08-26 | — | — | EP | claimed |