Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL1842692 | 0.94 | NPC1 (0.37) | NR1H4PTGDRPTGDR2CYP3A4CYP2D6 | |
| SCHEMBL1840826 | 0.94 | ACKR3 (0.34) | NR1H4PTGDRPTGDR2ATMKCNH2 | |
| SCHEMBL1838564 | 0.94 | SMN1; SMN2 (0.38) | NR1H4PTGDRPTGDR2CYP3A4CYP2D6 | |
| SCHEMBL1840723 | 0.91 | MRGPRX4 (0.42) | NR1H4PTGDRPTGDR2CYP3A4 | |
| SCHEMBL1839527 | 0.91 | NR1H4 (0.40) | NR1H4PTGDR2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1843050 | 0.90 | NR1H4 (0.33) | NR1H4PTGDRPTGDR2CYP3A4CYP2D6 | |
| SCHEMBL1839912 | 0.90 | NR1H4 (0.33) | NR1H4PTGDRPTGDR2CYP3A4CYP2D6 | |
| SCHEMBL1841658 | 0.87 | GABRA5 (0.38) | NR1H4 | |
| SCHEMBL1842541 | 0.87 | GABRA5 (0.38) | NR1H4 | |
| SCHEMBL1837376 | 0.87 | PROKR1 (0.36) | NR1H4CYP3A4CYP2D6CYP2C9KCNH2 |
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 |