Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Questiomycin B. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 4/20 | 0.79 |
| ▸ | TSHR | P16473 | 2/20 | 0.79 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.48 |
| ▸ | CA4 | P22748 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA6 | P23280 | 2/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Questiomycin B SCHEMBL11337786 | 0.92 | ALOX15 (0.75) | ALOX15TSHRCA2CA1KDM4E | |
| Questiomycin B SCHEMBL28102191 | 0.92 | ALOX15 (0.94) | ALOX15TSHRCA2CA1KDM4E | |
| Questiomycin B SCHEMBL28106010 | 0.92 | ALOX15 (0.94) | ALOX15TSHRCA2CA1KDM4E | |
| SCHEMBL18612812 | 0.92 | ALOX15 (0.94) | ALOX15TSHRCA2CA1KDM4E | |
| Questiomycin B SCHEMBL3202463 | 0.90 | ALOX15 (0.71) | ALOX15TSHRCA2CA1KDM4E | |
| Questiomycin B SCHEMBL27340296 | 0.90 | ALOX15 (0.71) | ALOX15TSHRCA2CA1KDM4E | |
| Questiomycin B SCHEMBL27839188 | 0.90 | ALOX15 (0.79) | ALOX15TSHRCA2CA1KDM4E | |
| Questiomycin B SCHEMBL29430322 | 0.89 | — | — | |
| Questiomycin B SCHEMBL3999786 | 0.89 | ALOX15 (1.00) | ALOX15TSHRCA2CA1KDM4E | |
| Questiomycin B SCHEMBL24436 | 0.89 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2277869-A1 | Cycloalkylamidbenzoxa(thia)zoles as fungicides | Bayer CropScience AG (DE) | 2011-01-26 | — | — | EP | disclosed |
| EP-2277868-A1 | Phenyloxy(thio)phenylamidbenzoxa(thia)zoles | Bayer CropScience AG (DE) | 2011-01-26 | — | — | EP | disclosed |
| WO-2010149309-A2 | CYCLOALKYLAMIDOBENZOXA(THIA)ZOLES | BAYER CROPSCIENCE AG (DE) | 2010-12-29 | — | — | WO | disclosed |
| WO-2010149283-A2 | PHENYLOXY(THIO)PHENYLAMIDOBENZOXA(THIA)ZOLES | BAYER CROPSCIENCE AG (DE) | 2010-12-29 | — | — | WO | disclosed |