Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 11/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 11/20 | 0.40 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CHRND | Q07001 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14447537 | 0.85 | KCNH2 (0.48) | KCNH2ALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL14447476 | 0.74 | NPC1 (0.50) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL5407734 | 0.74 | NPY5R (0.50) | CYP1A2CYP3A4GAA | |
| SCHEMBL14838875 | 0.69 | SCN10A (0.52) | HCRTR1HCRTR2 | |
| SCHEMBL25280436 | 0.69 | POLB (0.54) | KCNH2ALDH1A1CHRNA1CHRNGITGA5 | |
| SCHEMBL16609509 | 0.69 | NPC1 (0.50) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL16599521 | 0.69 | NPY5R (0.44) | ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL4348190 | 0.68 | CACNA1G (0.37) | KCNH2HCRTR1HCRTR2 | |
| SCHEMBL602633 | 0.68 | HRH4 (0.52) | — | |
| SCHEMBL20992046 | 0.67 | NPC1 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017132511-A1 | BENZIMIDAZOLE COMPOUNDS, USE AS INHIBITORS OF WNT SIGNALING PATHWAY IN CANCERS, AND METHODS FOR PREPARATION THEREOF | SOUTHERN RESEARCH INSTITUTE (US) | 2017-08-03 | — | — | WO | disclosed |