Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 4/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MDM4 | O15151 | 3/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 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 | |
|---|---|---|---|---|
| SCHEMBL1839045 | 0.90 | PTGER1 (0.35) | CYP3A4CYP2C9NR1H4PTGER1 | |
| SCHEMBL1838536 | 0.84 | SMN1; SMN2 (0.38) | FAAHMGLLMDM4MDM2TP53 | |
| SCHEMBL1837083 | 0.83 | GAA (0.39) | FAAHTP53KMT2AALDH1A1KCNH2 | |
| SCHEMBL1840740 | 0.82 | HCRTR1 (0.35) | FAAHMGLLMDM4MDM2TP53 | |
| SCHEMBL1838605 | 0.81 | ALOX15 (0.37) | MDM2TP53MEN1KMT2AMAPK1 | |
| SCHEMBL1840527 | 0.80 | ADRB3 (0.35) | KMT2AALDH1A1KCNH2 | |
| SCHEMBL3236034 | 0.80 | DRD4 (0.31) | — | |
| SCHEMBL1841033 | 0.80 | KDM4E (0.36) | MEN1KMT2AALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL1840570 | 0.79 | NR1H4 (0.39) | CYP3A4CYP2D6CYP2C9KCNH2NR1H4 | |
| SCHEMBL1839730 | 0.79 | PPARA (0.41) | FAAHCYP1A2MDM4MDM2TP53 |
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 |