Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.32 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.32 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL1840349 | 0.92 | NR1H4 (0.40) | NR1H4SMN1; SMN2LMNAHPGDS1PR1 | |
| SCHEMBL1836899 | 0.91 | NR1H4 (0.49) | NR1H4SMN1; SMN2LMNAHPGDS1PR1 | |
| SCHEMBL1842553 | 0.91 | MDM2 (0.33) | NR1H4SMN1; SMN2MDM2KMT2AGAA | |
| SCHEMBL1840040 | 0.87 | RAB9A (0.39) | SMN1; SMN2MDM2KMT2AGAACYP3A4 | |
| SCHEMBL1843050 | 0.84 | NR1H4 (0.33) | NR1H4SMN1; SMN2LMNAKMT2AGAA | |
| SCHEMBL1839912 | 0.84 | NR1H4 (0.33) | NR1H4SMN1; SMN2LMNAKMT2AGAA | |
| SCHEMBL1840826 | 0.84 | ACKR3 (0.34) | NR1H4SMN1; SMN2MDM2KMT2AGAA | |
| SCHEMBL1841980 | 0.83 | NR1H4 (0.34) | NR1H4S1PR1 | |
| SCHEMBL1841925 | 0.83 | NR1H4 (0.47) | NR1H4SMN1; SMN2LMNAHPGDS1PR1 | |
| SCHEMBL1838564 | 0.82 | SMN1; SMN2 (0.38) | NR1H4SMN1; SMN2LMNAHPGDKMT2A |
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 |