Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL2061572 | 0.82 | MAPT (0.41) | MAPTKIF11CYP1A2LMNATHRB | |
| SCHEMBL2062581 | 0.73 | CHEK1 (0.38) | MAPTKIF11LMNA | |
| SCHEMBL10274493 | 0.71 | CYP1A2 (0.38) | HTR2AHTR2CHTR2BKIF11CYP1A2 | |
| SCHEMBL2908844 | 0.68 | MAPT (0.36) | MAPTKIF11BRD4MAOAMAOB | |
| SCHEMBL29543859 | 0.67 | HTR2A (0.54) | HTR2AHTR2CHTR2BCYP1A2TAAR1 | |
| SCHEMBL14655589 | 0.67 | HTR2A (0.54) | HTR2AHTR2CHTR2BCYP1A2TAAR1 | |
| SCHEMBL885653 | 0.67 | MAPT (0.49) | MAPTBRD4 | |
| SCHEMBL20176945 | 0.66 | KCNJ1 (0.46) | HTR2AHTR2CHTR2BMAPTTAAR1 | |
| SCHEMBL16132462 | 0.66 | MAPT (0.46) | MAPTKIF11 | |
| SCHEMBL8920226 | 0.65 | PKM (0.36) | KIF11CYP1A2PDE3BPDE3AMAOA |
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 |