Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | MDM4 | O15151 | 3/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1841809 | 0.92 | HCRTR1 (0.36) | HCRTR1HCRTR2KCNH2NR1H4CYP3A4 | |
| SCHEMBL1838605 | 0.84 | ALOX15 (0.37) | NR1H4S1PR1S1PR3MDM2TP53 | |
| SCHEMBL1837083 | 0.83 | GAA (0.39) | KCNH2FAAHS1PR1S1PR3TP53 | |
| SCHEMBL1838732 | 0.82 | FAAH (0.35) | KCNH2FAAHNR1H4MDM4MDM2 | |
| SCHEMBL1838536 | 0.81 | SMN1; SMN2 (0.38) | FAAHS1PR1S1PR3MDM4MDM2 | |
| SCHEMBL1840370 | 0.79 | ABCB11 (0.37) | CYP3A4 | |
| SCHEMBL1840527 | 0.78 | ADRB3 (0.35) | KCNH2 | |
| SCHEMBL1838564 | 0.78 | SMN1; SMN2 (0.38) | KCNH2NR1H4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1839136 | 0.78 | NR1H4 (0.40) | KCNH2NR1H4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1840984 | 0.78 | NR1H4 (0.40) | KCNH2NR1H4CYP3A4CYP2D6CYP2C9 |
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 |