Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ESRRA | P11474 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1840000 | 0.91 | NR1H4 (0.41) | MRGPRX4NR1H4CYP3A4TAS1R3TAS1R1 | |
| SCHEMBL1840310 | 0.91 | NR1H4 (0.36) | NR1H4CYP3A4PTGDRPTGDR2 | |
| SCHEMBL1842692 | 0.91 | NPC1 (0.37) | MRGPRX4NR1H4CYP3A4TAS1R3TAS1R1 | |
| SCHEMBL1838564 | 0.90 | SMN1; SMN2 (0.38) | NR1H4CYP3A4TAS1R3TAS1R1PTGDR | |
| SCHEMBL1840826 | 0.86 | ACKR3 (0.34) | MRGPRX4NR1H4PTGDRPTGDR2 | |
| SCHEMBL1843050 | 0.85 | NR1H4 (0.33) | NR1H4CYP3A4PTGDRPTGDR2 | |
| SCHEMBL1839912 | 0.85 | NR1H4 (0.33) | NR1H4CYP3A4PTGDRPTGDR2 | |
| SCHEMBL1842541 | 0.83 | GABRA5 (0.38) | NR1H4 | |
| SCHEMBL1841658 | 0.83 | GABRA5 (0.38) | NR1H4 | |
| SCHEMBL1837376 | 0.83 | PROKR1 (0.36) | NR1H4CYP3A4 |
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 |