Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | P4HTM | Q9NXG6 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1841265 | 0.91 | BACE1 (0.36) | NR1H4BACE1BACE2 | |
| SCHEMBL198628 | 0.88 | NR1H4 (0.38) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1840368 | 0.86 | NR1H4 (0.33) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1841448 | 0.86 | PTGDR2 (0.38) | KMT2A | |
| SCHEMBL1842326 | 0.86 | PTGDR2 (0.34) | NR1H4CYP2C9 | |
| SCHEMBL1842591 | 0.85 | NR1H4 (0.34) | NR1H4KMT2ASMN1; SMN2CYP2C9KCNH2 | |
| SCHEMBL1839045 | 0.84 | PTGER1 (0.35) | NR1H4CYP2C9CYP3A4 | |
| SCHEMBL1839001 | 0.84 | NR4A2 (0.42) | NR1H4SMN1; SMN2 | |
| SCHEMBL1839238 | 0.83 | NR1H4 (0.42) | NR1H4L3MBTL1CYP2C9KCNH2CYP3A4 | |
| SCHEMBL1839494 | 0.83 | NR1H4 (0.42) | NR1H4L3MBTL1CYP2C9KCNH2CYP3A4 |
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-2321282-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | claimed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | claimed |
| EP-2321282-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | disclosed |