Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL2369267 | 0.88 | CYP3A4 (0.52) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL870689 | 0.85 | CYP3A4 (0.63) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL27517279 | 0.82 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL28084031 | 0.82 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL28084075 | 0.82 | CYP3A4 (0.53) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL28811547 | 0.82 | NOTUM (0.55) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL8333936 | 0.79 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL31408101 | 0.78 | IDO1 (0.73) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL16382293 | 0.78 | IDO1 (0.73) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL32680208 | 0.76 | NOTUM (0.50) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3672970-A1 | THERAPEUTIC HETEROCYCLIC COMPOUNDS | Gilead Sciences, Inc. (US) | 2020-07-01 | — | — | EP | disclosed |
| WO-2019040102-A1 | THERAPEUTIC HETEROCYCLIC COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2019-02-28 | — | — | WO | disclosed |
| CN-1761773-B | Novel imidazole compound and usage thereof | SHIKOKU CHEM | 2010-05-05 | — | — | CN | disclosed |
| CN-1761773-A | Novel imidazole compound and usage thereof | SHIKOKU CHEM (JP) | 2006-04-19 | — | — | CN | disclosed |