Known targets — ChEMBL curated mechanism
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
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 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA5A | P35218 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
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 SCHEMBL1115427 | 0.98 | ALOX15 (0.75) | ALOX15TSHRCA12CA2CA1 | |
| Questiomycin B SCHEMBL11556069 | 0.98 | ALOX15 (0.75) | ALOX15TSHRCA12CA2CA1 | |
| Questiomycin B SCHEMBL1877618 | 0.98 | ALOX15 (0.75) | ALOX15TSHRCA12CA2CA1 | |
| Questiomycin B SCHEMBL28133000 | 0.95 | ALOX15 (0.71) | ALOX15TSHRCA12CA2CA1 | |
| Questiomycin B SCHEMBL11685448 | 0.90 | ALOX15 (0.79) | ALOX15TSHRCA12CA2CA1 | |
| Questiomycin B SCHEMBL28890174 | 0.87 | — | — | |
| Questiomycin B SCHEMBL29430322 | 0.84 | — | — | |
| Questiomycin B SCHEMBL24436 | 0.84 | — | — | |
| Questiomycin B SCHEMBL3999786 | 0.84 | ALOX15 (1.00) | ALOX15TSHRCA12CA2CA1 | |
| 4-Aminophenol SCHEMBL27531500 | 0.84 | ALOX15 (0.56) | ALOX15TSHRCA12CA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008013676-A1 | A READY TO USE COMBINED SKIN MARKING STAIN COMPOUND AND APPLICATOR REQUIRING ONLY THE ADDITION OF WATER | ARMOR HOLDINGS FORENSICS, L.L.C. (US) | 2008-01-31 | — | — | WO | claimed |
| WO-2008013676-A1 | A READY TO USE COMBINED SKIN MARKING STAIN COMPOUND AND APPLICATOR REQUIRING ONLY THE ADDITION OF WATER | ARMOR HOLDINGS FORENSICS, L.L.C. (US) | 2008-01-31 | — | — | WO | disclosed |