Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.44 |
| ▸ | PAK4 | O96013 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TNF | P01375 | 1/20 | 0.39 |
| ▸ | FBP1 | P09467 | 2/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4197701 | 0.82 | PARP1 (0.40) | MAPTPDE3BPDE3ACYP3A4ALDH1A1 | |
| SCHEMBL4191236 | 0.80 | PLK4 (0.42) | PLK4PAK4MAPTPDE3BPDE3A | |
| SCHEMBL4202705 | 0.77 | EGFR (0.42) | MAPTPDE3BPDE3AFBP1EGFR | |
| SCHEMBL4205040 | 0.76 | PTPN7 (0.39) | MAPTPDE3BPDE3AEGFRCYP3A4 | |
| SCHEMBL24000347 | 0.75 | CYP3A4 (0.62) | ADORA2AADORA1CYP3A4CYP2C9TSHR | |
| SCHEMBL30450480 | 0.75 | PDE10A (0.45) | ADORA2AADORA1MAPTPDE3BPDE3A | |
| SCHEMBL30088826 | 0.75 | CYP3A4 (0.62) | ADORA2AADORA1CYP3A4CYP2C9TSHR | |
| SCHEMBL6273407 | 0.71 | EGFR (0.57) | MAPTFBP1ABCG2EGFRCYP3A4 | |
| SCHEMBL5569386 | 0.69 | PARP1 (0.47) | PLK4PAK4CYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL11971402 | 0.68 | PDE10A (0.41) | ADORA2AADORA1PLK4MAPTEGFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1648455-A4 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-1648455-A2 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005009389-A2 | ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2005-02-03 | — | — | WO | disclosed |