Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | C3AR1 | Q16581 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL2307838 | 0.88 | NR1H4 (0.41) | NR1H4GHSRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2913040 | 0.84 | TSHR (0.44) | CYP2C19NPC1RAB9AC3AR1SMN1; SMN2 | |
| SCHEMBL2915021 | 0.82 | KCNH2 (0.44) | NR1H4CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL3654724 | 0.78 | NR1H4 (0.53) | NR1H4CYP2D6CYP2C9NPC1RAB9A | |
| SCHEMBL2310577 | 0.78 | NR1H4 (0.42) | NR1H4CYP2D6CYP2C9NPC1RAB9A | |
| SCHEMBL2912405 | 0.78 | ALDH1A1 (0.40) | NR1H4CYP2D6CYP2C9CYP2C19NPC1 | |
| SCHEMBL2912425 | 0.78 | TSHR (0.40) | NR1H4CYP2C19NPC1RAB9AC3AR1 | |
| SCHEMBL2309892 | 0.78 | NR1H4 (0.44) | NR1H4CYP2D6CYP2C9NPC1RAB9A | |
| SCHEMBL2306541 | 0.76 | NR1H4 (0.43) | NR1H4NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL2907592 | 0.76 | NPC1 (0.42) | NR1H4CYP2D6CYP2C9CYP2C19NPC1 |
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 |