Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | HPN | P05981 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2306541 | 0.90 | NR1H4 (0.43) | NR1H4HTR2BNPC1RAB9AEPHX2 | |
| SCHEMBL2309892 | 0.90 | NR1H4 (0.44) | NR1H4CYP3A4CYP2D6CYP2C9HTR2B | |
| SCHEMBL2305348 | 0.88 | NR1H4 (0.46) | NR1H4CYP3A4CYP2D6CYP2C9NPC1 | |
| SCHEMBL2308785 | 0.88 | NR1H4 (0.40) | NR1H4CYP3A4CYP2D6CYP2C9MITF | |
| SCHEMBL2306822 | 0.81 | NR1H4 (0.41) | NR1H4CYP3A4CYP2D6CYP2C9HPN | |
| SCHEMBL2307306 | 0.81 | NR1H4 (0.41) | NR1H4CYP3A4CYP2D6CYP2C9HPN | |
| SCHEMBL2308591 | 0.79 | NR1H4 (0.43) | NR1H4CYP3A4CYP2D6CYP2C9NPC1 | |
| SCHEMBL2310551 | 0.78 | NR1H4 (0.41) | NR1H4MITFHTR2BNPC1RAB9A | |
| SCHEMBL2306977 | 0.78 | NR1H4 (0.43) | NR1H4CYP2D6CYP2C9HTR2BNPC1 | |
| SCHEMBL2305595 | 0.78 | NR1H4 (0.49) | NR1H4CYP3A4CYP2D6CYP2C9NPC1 |
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-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 |