Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL348758 | 0.91 | ACHE (0.55) | ACHETSHRKIF11CYP2C19CYP3A4 | |
| SCHEMBL29714909 | 0.91 | ACHE (0.55) | ACHETSHRKIF11CYP2C19CYP3A4 | |
| Water SCHEMBL27710899 | 0.89 | ACHE (0.52) | ACHETSHRKIF11CYP2C19CYP3A4 | |
| SCHEMBL11139433 | 0.83 | HDAC8 (0.47) | ACHETSHRKIF11CYP2C19CYP3A4 | |
| SCHEMBL1543017 | 0.83 | HDAC4 (0.47) | ACHETSHRKIF11CYP2C19CYP3A4 | |
| Phenol SCHEMBL28119910 | 0.82 | ACHE (0.54) | ACHEKIF11CYP2C19CYP3A4CYP2D6 | |
| Phosphonic Acid SCHEMBL8389883 | 0.79 | HDAC4 (0.48) | ACHEKIF11HDAC4HDAC2HDAC8 | |
| M-Xylene SCHEMBL6830915 | 0.78 | ACHE (0.75) | ACHETSHRCYP2C19CYP3A4CYP2D6 | |
| SCHEMBL16191457 | 0.78 | CNR1 (0.44) | ACHEKIF11CYP2C19CYP3A4CYP2D6 | |
| Phosphoric Acid SCHEMBL27558610 | 0.78 | HDAC8 (0.43) | ACHETSHRKIF11CYP2C19CYP3A4 |
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-1150565-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION bioscience AG (DE) | 2001-11-07 | — | — | EP | claimed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | claimed |