Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.47 |
| ▸ | HRAS | P01112 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | TOP1 | P11387 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14267760 | 0.98 | NPSR1 (0.52) | NPSR1POLBJAK2EPHX2ALDH1A1 | |
| SCHEMBL16348811 | 0.91 | NPSR1 (0.50) | NPSR1POLBEPHX2HRASESR1 | |
| SCHEMBL12513962 | 0.90 | NPSR1 (0.49) | NPSR1POLBEPHX2HRASESR1 | |
| SCHEMBL2399081 | 0.89 | CD274 (0.50) | NPSR1POLBEPHX2HRASESR1 | |
| SCHEMBL2399257 | 0.89 | CD274 (0.50) | NPSR1POLBEPHX2HRASESR1 | |
| SCHEMBL13659596 | 0.86 | NPSR1 (0.54) | NPSR1POLBALDH1A1KDM4ETP53 | |
| SCHEMBL2398657 | 0.85 | LMNA (0.54) | NPSR1POLBEPHX2ALDH1A1CYP2C19 | |
| SCHEMBL14099794 | 0.85 | CD274 (0.47) | NPSR1POLBEPHX2HRASESR1 | |
| SCHEMBL2399965 | 0.85 | LMNA (0.54) | NPSR1POLBEPHX2ALDH1A1CYP2C19 | |
| SCHEMBL14099832 | 0.85 | NPSR1 (0.53) | NPSR1POLBEPHX2ALDH1A1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013096637-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | WO | disclosed |