Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 2/20 | 0.52 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.52 |
| ▸ | F3 | P13726 | 2/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7897215 | 0.84 | CYP3A4 (0.66) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL12920192 | 0.84 | CYP3A4 (0.66) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL7897216 | 0.84 | CYP3A4 (0.66) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL10950395 | 0.82 | CYP3A4 (0.64) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL10950397 | 0.82 | CYP3A4 (0.64) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL24434700 | 0.79 | CYP3A4 (0.61) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL9967708 | 0.79 | CYP3A4 (0.61) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL14839505 | 0.79 | ALDH1A1 (0.60) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT | |
| SCHEMBL9416008 | 0.79 | CYP3A4 (0.66) | CYP3A4CYP2C9CYP2C19MAPTRELA | |
| SCHEMBL7898332 | 0.77 | CYP3A4 (0.61) | CYP3A4ALDH1A1CYP2C9CYP2C19MAPT |
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-0599265-A1 | Antibacterial, antifungal compound and its production method | Takeda Chemical Industries, Ltd. (JP) | 1994-06-01 | — | — | EP | disclosed |