Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27329631 | 0.86 | ACHE (0.71) | ACHETSHRALDH1A1NFE2L2CES2 | |
| Formic Acid SCHEMBL27295959 | 0.86 | ACHE (0.71) | ACHETSHRALDH1A1NFE2L2CES2 | |
| Methylamine SCHEMBL28770711 | 0.85 | ACHE (0.88) | ACHETSHRALDH1A1NFE2L2CYP3A4 | |
| SCHEMBL29488781 | 0.84 | — | — | |
| SCHEMBL11837 | 0.84 | — | — | |
| Formaldehyde SCHEMBL27341516 | 0.82 | ACHE (0.83) | ACHETSHRALDH1A1NFE2L2CYP3A4 | |
| SCHEMBL28557764 | 0.82 | ACHE (0.83) | ACHETSHRALDH1A1NFE2L2CYP3A4 | |
| O-Xylene SCHEMBL27940270 | 0.82 | TSHR (0.62) | ACHETSHRALDH1A1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL29088489 | 0.82 | ACHE (0.94) | ACHETSHRALDH1A1NFE2L2CYP3A4 | |
| Fluoride SCHEMBL21816907 | 0.82 | ACHE (0.94) | ACHETSHRALDH1A1NFE2L2CYP3A4 |
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 3 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 |
| CN-105121430-B | Conditioning agent for treating the LADA orphan receptor γ related to the biostearin of inflammatory disease (ROR γ) | 葛兰素集团有限公司 | 2017-06-16 | — | — | CN | disclosed |