Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1055480 | 0.85 | GPR119 (0.51) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL1052689 | 0.81 | GPR119 (0.51) | PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL7144063 | 0.74 | PDE4B (0.53) | BRD4PDE4BPDE4APDE4CPDE4D | |
| SCHEMBL10827884 | 0.74 | ALDH1A1 (0.46) | LMNAMEN1KMT2AALDH1A1ATM | |
| SCHEMBL2879359 | 0.69 | GPR119 (0.52) | BRD4KCNH2 | |
| SCHEMBL1052671 | 0.68 | PDE4B (0.48) | PDE4BPDE4APDE4CPDE4DKDM4E | |
| SCHEMBL3840018 | 0.67 | GRIN2B (0.50) | GRIN2BKDM4E | |
| SCHEMBL3844800 | 0.67 | HRH3 (0.44) | GRIN2B | |
| SCHEMBL3839998 | 0.67 | GPR119 (0.51) | — | |
| SCHEMBL3841482 | 0.67 | GPR119 (0.51) | — |
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 |