Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4038655 | 1.00 | KCNH2 (0.48) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4036578 | 1.00 | KCNH2 (0.48) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4039537 | 1.00 | KCNH2 (0.48) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4034374 | 1.00 | KCNH2 (0.48) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4035029 | 0.95 | NR1H4 (0.47) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4040844 | 0.95 | NR1H4 (0.47) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4039331 | 0.94 | NR1H4 (0.44) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4038118 | 0.94 | NR1H4 (0.44) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4042942 | 0.94 | CYP3A4 (0.42) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4038777 | 0.94 | CYP3A4 (0.42) | KCNH2NR1H4CYP3A4CYP2C9CYP2D6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2038259-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | claimed |
| WO-2008000643-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | claimed |
| EP-3043865-A1 | METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION | Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) | 2016-07-20 | — | — | EP | disclosed |
| WO-2015036442-A1 | METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2015-03-19 | — | — | WO | disclosed |
| EP-2038259-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008000643-A1 | BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-03 | — | — | WO | disclosed |