Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | HTR1B | P28222 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL917520 | 0.76 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3HTR1D | |
| SCHEMBL11705873 | 0.73 | CHRNB2 (0.59) | CHRNB2CHRNA4 | |
| SCHEMBL451775 | 0.72 | CHRNB2 (0.68) | CHRNB2CHRNA4CHRNB4CHRNA3HTR1D | |
| SCHEMBL24770775 | 0.72 | CYP3A4 (0.33) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL20963039 | 0.69 | PSEN1 (0.38) | MEN1KMT2AKDM4ENPC1ALDH1A1 | |
| SCHEMBL20963063 | 0.69 | PSEN1 (0.38) | MEN1KMT2AKDM4ENPC1ALDH1A1 | |
| SCHEMBL31378727 | 0.69 | — | — | |
| SCHEMBL6937141 | 0.68 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNB4CHRNA3MEN1 | |
| SCHEMBL23567637 | 0.68 | CHRNB2 (0.61) | CHRNB2CHRNA4CHRNB4CHRNA3MEN1 | |
| SCHEMBL23530199 | 0.67 | CHRNB2 (0.60) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 |
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-2222647-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | Cephalon, Inc. (US) | 2010-09-01 | — | — | EP | disclosed |
| WO-2008051547-A1 | FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS | CEPHALON, INC. (US) | 2008-05-02 | — | — | WO | disclosed |