Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.31 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.31 |
| ▸ | CACNA1S | Q13698 | 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 | |
|---|---|---|---|---|
| SCHEMBL1839912 | 0.93 | NR1H4 (0.33) | NR1H4CYP2C9KCNH2SMN1; SMN2LMNA | |
| SCHEMBL1843050 | 0.93 | NR1H4 (0.33) | NR1H4CYP2C9KCNH2SMN1; SMN2LMNA | |
| SCHEMBL1841925 | 0.92 | NR1H4 (0.47) | NR1H4CYP2C9KCNH2SMN1; SMN2LMNA | |
| SCHEMBL1840285 | 0.92 | NR1H4 (0.41) | NR1H4SMN1; SMN2LMNAHPGDCYP3A4 | |
| SCHEMBL1838564 | 0.90 | SMN1; SMN2 (0.38) | NR1H4CYP2C9KCNH2SMN1; SMN2LMNA | |
| SCHEMBL1842553 | 0.87 | MDM2 (0.33) | NR1H4KCNH2SMN1; SMN2CYP3A4MAPT | |
| SCHEMBL1839025 | 0.87 | LMNA (0.32) | NR1H4CYP2C9KCNH2SMN1; SMN2LMNA | |
| SCHEMBL1840310 | 0.87 | NR1H4 (0.36) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1841033 | 0.86 | KDM4E (0.36) | NR1H4CYP2C9KCNH2CYP3A4CYP2D6 | |
| SCHEMBL1842692 | 0.86 | NPC1 (0.37) | NR1H4SMN1; SMN2LMNAHPGDCYP3A4 |
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 2 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 | disclosed |
| WO-2010028981-A1 | NEW BENZIMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-18 | — | — | WO | disclosed |