Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 3/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 7/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.44 |
| ▸ | AURKA | O14965 | 2/20 | 0.44 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.43 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 2/20 | 0.42 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 5/20 | 0.41 |
| ▸ | JAK3 | P52333 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | JAK1 | P23458 | 3/20 | 0.41 |
| ▸ | TYK2 | P29597 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL177656 | 0.88 | PAK1 (0.49) | PAK1NTRK1AURKBAURKANTRK3 | |
| SCHEMBL167094 | 0.86 | PAK1 (0.48) | PAK1NTRK1AURKBAURKAJAK2 | |
| SCHEMBL173555 | 0.85 | PLK4 (0.44) | NTRK1AURKBAURKANTRK3NTRK2 | |
| SCHEMBL168897 | 0.84 | NTRK1 (0.45) | NTRK1AURKBAURKANTRK3NTRK2 | |
| SCHEMBL166022 | 0.83 | NTRK1 (0.43) | NTRK1AURKBAURKANTRK3NTRK2 | |
| SCHEMBL175070 | 0.83 | AURKA (0.63) | NTRK1AURKBAURKANTRK3NTRK2 | |
| SCHEMBL166231 | 0.82 | NTRK1 (0.44) | NTRK1AURKBAURKANTRK3NTRK2 | |
| SCHEMBL175046 | 0.82 | PAK4 (0.33) | PAK1AURKBPAK4JAK2GSK3B | |
| SCHEMBL168759 | 0.82 | NTRK1 (0.66) | NTRK1AURKBAURKANTRK3NTRK2 | |
| SCHEMBL174009 | 0.81 | NTRK1 (0.56) | NTRK1AURKBAURKANTRK3NTRK2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611812-A1 | THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2013-07-10 | — | — | EP | claimed |
| WO-2012030894-A1 | THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | claimed |
| EP-2611812-A1 | THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | Ambit Biosciences Corporation (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012030894-A1 | THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012030894-A1 | THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |