Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 3/20 | 0.49 |
| ▸ | AURKA | O14965 | 3/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.42 |
| ▸ | JAK2 | O60674 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | JAK1 | P23458 | 3/20 | 0.42 |
| ▸ | TYK2 | P29597 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | JAK3 | P52333 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 7/20 | 0.41 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 2/20 | 0.39 |
| ▸ | PAK4 | O96013 | 2/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL166273 | 0.88 | PAK1 (0.51) | PAK1AURKAAURKBJAK2CYP3A4 | |
| SCHEMBL15258914 | 0.83 | JAK2 (0.61) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL167094 | 0.79 | PAK1 (0.48) | PAK1AURKAAURKBJAK2CYP3A4 | |
| SCHEMBL164643 | 0.78 | AURKA (0.61) | PAK1AURKAAURKBJAK2CYP3A4 | |
| SCHEMBL166132 | 0.77 | JAK2 (0.70) | PAK1AURKAAURKBJAK2CYP3A4 | |
| SCHEMBL256488 | 0.77 | JAK2 (0.70) | PAK1AURKAAURKBJAK2CYP3A4 | |
| SCHEMBL167400 | 0.77 | AURKA (0.59) | PAK1AURKAAURKBJAK2CYP3A4 | |
| SCHEMBL166457 | 0.75 | JAK2 (0.49) | PAK1AURKAAURKBJAK2CYP3A4 | |
| SCHEMBL1298367 | 0.74 | JAK2 (0.41) | AURKAAURKBJAK2CYP3A4CYP2C8 | |
| SCHEMBL23889520 | 0.74 | PAK1 (0.63) | PAK1AURKAAURKBJAK2PAK4 |
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-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 |