Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3511950 | 0.82 | NPC1 (0.51) | CA2CAMK2ALMNAGAATSHR | |
| SCHEMBL27694530 | 0.81 | RAB9A (0.49) | CYP2C8CYP2C9HCAR2LMNAGAA | |
| SCHEMBL538575 | 0.79 | ABCC4 (0.58) | LMNAGAATSHRABCC4PTGS1 | |
| SCHEMBL4940811 | 0.78 | CA2 (0.86) | CA2CAMK2ALMNAGAATSHR | |
| SCHEMBL27866833 | 0.77 | SMN1; SMN2 (0.47) | CYP2C8CYP2C9HCAR2SMN1; SMN2NPC1 | |
| SCHEMBL27795042 | 0.77 | SMN1; SMN2 (0.47) | CYP2C8CYP2C9HCAR2SMN1; SMN2NPC1 | |
| SCHEMBL75700 | 0.75 | CA2 (1.00) | CA2CAMK2ALMNAGAATSHR | |
| SCHEMBL21114405 | 0.75 | CA2 (1.00) | CA2CAMK2ALMNAGAATSHR | |
| Hydrogen Peroxide SCHEMBL27765042 | 0.75 | CA2 (1.00) | CA2CAMK2ALMNAGAATSHR | |
| SCHEMBL7796890 | 0.75 | RAB9A (0.74) | SMN1; SMN2NPC1RAB9AMAPTSTAT3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1806332-A1 | BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS | Daiichi Sankyo Company, Limited (JP) | 2007-07-11 | — | — | EP | disclosed |