Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 5/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | SMO | Q99835 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4738167 | 1.00 | CHEK1 (0.35) | CHEK1CHEK2SMN1; SMN2GAAPPARA | |
| SCHEMBL14163060 | 0.87 | KCNH2 (0.36) | CHEK1CHEK2SMN1; SMN2MAPK1KCNH2 | |
| SCHEMBL14162967 | 0.87 | RPS6KB1 (0.35) | CHEK1CHEK2SMN1; SMN2GAAKCNH2 | |
| SCHEMBL4738630 | 0.86 | CHEK1 (0.38) | CHEK1CHEK2SMN1; SMN2PPARAMAPK1 | |
| SCHEMBL4738164 | 0.80 | ALDH1A1 (0.34) | KMT2AMEN1LMNAMAPTRPS6KB1 | |
| SCHEMBL4735976 | 0.75 | CHEK1 (0.38) | CHEK1CHEK2PPARAMAPK1SMO | |
| SCHEMBL2521642 | 0.71 | GAA (0.39) | GAAMAPK1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14495694 | 0.69 | HSP90AA1 (0.42) | SMN1; SMN2GAAKMT2AMEN1LMNA | |
| SCHEMBL15779396 | 0.68 | KCNA5 (0.42) | CHEK1CHEK2PPARAMAPK1MAPT | |
| SCHEMBL209615 | 0.67 | MAPT (0.45) | SMN1; SMN2GAAKMT2AMEN1LMNA |
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-2008075007-A1 | MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2008-06-26 | — | — | WO | disclosed |