Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 9/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PYGL | P06737 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2307699 | 1.00 | NR1H4 (0.55) | NR1H4CYP2C9KCNH2KMT2ATSHR | |
| SCHEMBL2305595 | 0.94 | NR1H4 (0.49) | NR1H4CYP2C9KCNH2KMT2ATSHR | |
| SCHEMBL2304285 | 0.93 | NR1H4 (0.49) | NR1H4CYP2C9KCNH2KMT2ACYP3A4 | |
| SCHEMBL2305514 | 0.93 | NR1H4 (0.49) | NR1H4CYP2C9KCNH2KMT2ACYP3A4 | |
| SCHEMBL2305357 | 0.91 | NR1H4 (0.46) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL2305591 | 0.91 | NR1H4 (0.46) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL2307306 | 0.88 | NR1H4 (0.41) | NR1H4CYP2C9KMT2ATSHRCYP3A4 | |
| SCHEMBL2306822 | 0.88 | NR1H4 (0.41) | NR1H4CYP2C9KMT2ATSHRCYP3A4 | |
| SCHEMBL2308591 | 0.88 | NR1H4 (0.43) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL2305479 | 0.85 | NR1H4 (0.45) | NR1H4 |
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-2350022-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | claimed |
| WO-2010043513-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-22 | — | — | WO | claimed |
| EP-2350022-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010043513-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-22 | — | — | WO | disclosed |