Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.38 |
| ▸ | F10 | P00742 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.34 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5032460 | 0.87 | CYP3A4 (0.46) | CYP3A4CRHR1ALDH1A1HPGDPPARG | |
| SCHEMBL5035252 | 0.86 | CYP3A4 (0.43) | CYP3A4CRHR1F10ALDH1A1HPGD | |
| SCHEMBL5036072 | 0.84 | CYP3A4 (0.44) | CYP3A4ALDH1A1HPGDPPARGNCOA2 | |
| SCHEMBL5041456 | 0.84 | CYP3A4 (0.48) | CYP3A4ALDH1A1HPGDPPARGNCOA2 | |
| SCHEMBL5035060 | 0.83 | CYP3A4 (0.42) | CYP3A4ALDH1A1HPGDPPARGNCOA2 | |
| SCHEMBL5034781 | 0.82 | CYP3A4 (0.42) | CYP3A4ALDH1A1HPGDMEN1HTT | |
| SCHEMBL5035233 | 0.80 | CYP3A4 (0.38) | CYP3A4ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL5032683 | 0.79 | CYP3A4 (0.37) | CYP3A4ALDH1A1MEN1CYP1A2CYP2D6 | |
| SCHEMBL5035001 | 0.79 | CYP3A4 (0.41) | CYP3A4ALDH1A1MEN1HTTKMT2A | |
| SCHEMBL5039337 | 0.78 | CYP3A4 (0.34) | CYP3A4GAANPSR1 |
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-1694673-B1 | THIAZOLE DERIVATES | HOFFMANN LA ROCHE (CH) | 2008-01-16 | — | — | EP | claimed |