Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12295264 | 0.91 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL2424709 | 0.84 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL17580467 | 0.83 | CYP2C9 (0.43) | CYP2C9CYP2C19CYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL12295283 | 0.83 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL13837948 | 0.81 | CYP2C9 (0.48) | CYP2C9CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL12295472 | 0.79 | CYP2C9 (0.63) | CYP2C9CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL14761075 | 0.79 | CYP2C9 (0.57) | CYP2C9CYP2C19CYP3A4ALDH1A1KDM4E | |
| SCHEMBL2428194 | 0.79 | CYP2C9 (0.62) | CYP2C9CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL13837986 | 0.79 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP3A4LMNAALDH1A1 | |
| SCHEMBL12294578 | 0.77 | CYP2C9 (0.67) | CYP2C9CYP2C19CYP3A4ALDH1A1HPGD |
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-2547678-B1 | ANTI-INFECTIVE COMPOUNDS | PASTEUR INSTITUT KOREA (KR) | 2016-03-16 | — | — | EP | disclosed |