Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 3/20 | 0.33 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR1F | P30939 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3666055 | 0.90 | HDAC3 (0.40) | PTGDR2HTR6 | |
| SCHEMBL674879 | 0.89 | PTGDR2 (0.37) | SRCCYP2C19CYP3A4CYP2C9PTGDR2 | |
| SCHEMBL675466 | 0.88 | ENPP3 (0.38) | SRCCYP2C19CYP3A4CYP2C9PTGDR2 | |
| SCHEMBL676947 | 0.83 | PTGDR2 (0.40) | PTGDR2MAPTPTGDRHTR6 | |
| SCHEMBL675759 | 0.81 | PTGDR2 (0.37) | SRCCYP2C19CYP3A4CYP2C9PTGDR2 | |
| SCHEMBL675269 | 0.79 | HDAC3 (0.39) | PTGDR2HTR6 | |
| SCHEMBL675485 | 0.77 | SRC (0.41) | SRCCYP2C19CYP3A4CYP2C9PTGDR2 | |
| SCHEMBL3667603 | 0.77 | SRC (0.40) | SRCCYP2C19CYP3A4CYP2C9PTGDR2 | |
| SCHEMBL675913 | 0.76 | SRC (0.40) | SRCCYP2C19CYP3A4CYP2C9PTGDR2 | |
| SCHEMBL3726814 | 0.76 | PSEN1 (0.36) | CYP2C19CYP3A4CYP2C9PTGDR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8895744-B2 | Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2014-11-25 | — | — | US | disclosed |
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |