Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25156760 | 0.82 | ACHE (0.43) | CYP3A4ALDH1A1ACHEMRGPRX4CA1 | |
| SCHEMBL13180059 | 0.82 | CA1 (0.44) | CYP3A4ALDH1A1ACHECA1CA2 | |
| SCHEMBL26493853 | 0.81 | ACHE (0.46) | CYP3A4ALDH1A1ACHEMRGPRX4CA1 | |
| SCHEMBL15280170 | 0.79 | ACHE (0.44) | CYP3A4ALDH1A1ACHEMRGPRX4CA1 | |
| SCHEMBL11883 | 0.79 | ACHE (0.62) | CYP3A4ALDH1A1ACHENFE2L2SMN1; SMN2 | |
| SCHEMBL15304701 | 0.78 | ACHE (0.54) | CYP3A4ALDH1A1ACHECA1CA2 | |
| SCHEMBL14449407 | 0.77 | ACHE (0.43) | CYP3A4ALDH1A1ACHEMRGPRX4CA1 | |
| SCHEMBL18377117 | 0.76 | ALDH1A1 (0.46) | CYP3A4ALDH1A1ACHECA1CA2 | |
| SCHEMBL16392368 | 0.76 | IDO1 (0.48) | ALDH1A1 | |
| SCHEMBL1174545 | 0.76 | ACHE (0.41) | CYP3A4ALDH1A1ACHEMRGPRX4CA1 |
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-2008139941-A1 | SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |