Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KRAS | P01116 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 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 | |
|---|---|---|---|---|
| SCHEMBL7197497 | 0.89 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL7197500 | 0.89 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL28022176 | 0.86 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL7194858 | 0.84 | TNFRSF1A (0.59) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL7193630 | 0.84 | TNFRSF1A (0.59) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL8146123 | 0.82 | MAPT (0.59) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL25196897 | 0.82 | BCHE (0.52) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL22806733 | 0.80 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL30266761 | 0.80 | BCHE (0.54) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE | |
| SCHEMBL7191864 | 0.79 | MAOB (0.53) | CYP3A4CYP1A2CYP2C9CYP2C19BCHE |
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-2007115181-A9 | COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF | EASTMAN CHEM CO (US) | 2008-04-03 | — | — | WO | disclosed |