Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL5036072 | 0.93 | CYP3A4 (0.44) | CYP3A4GAANPSR1ALDH1A1KDM4E | |
| SCHEMBL5035001 | 0.90 | CYP3A4 (0.41) | CYP3A4GAANPSR1ALDH1A1MCOLN3 | |
| SCHEMBL5032460 | 0.88 | CYP3A4 (0.46) | CYP3A4GAANPSR1ALDH1A1KDM4E | |
| SCHEMBL5032621 | 0.85 | CYP3A4 (0.53) | CYP3A4GAANPSR1ALDH1A1KDM4E | |
| SCHEMBL5032642 | 0.84 | CYP3A4 (0.41) | CYP3A4GAANPSR1ALDH1A1HPGD | |
| SCHEMBL5032683 | 0.83 | CYP3A4 (0.37) | CYP3A4GAANPSR1ALDH1A1KDM4E | |
| SCHEMBL5034781 | 0.83 | CYP3A4 (0.42) | CYP3A4GAANPSR1ALDH1A1KDM4E | |
| SCHEMBL5035060 | 0.82 | CYP3A4 (0.42) | CYP3A4GAANPSR1ALDH1A1KDM4E | |
| SCHEMBL5032505 | 0.79 | CYP3A4 (0.48) | CYP3A4GAANPSR1ALDH1A1KDM4E | |
| SCHEMBL5035233 | 0.79 | CYP3A4 (0.38) | CYP3A4GAANPSR1ALDH1A1KDM4E |
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 |