Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL28858805 | 0.89 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TSHRLMNACA12 | |
| Questiomycin B SCHEMBL28233062 | 0.81 | TSHR (0.62) | ALDH1A1HSD17B10TSHRALOX15LMNA | |
| Ethyl Acetate SCHEMBL30203103 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HSD17B10TSHRLMNAPOLB | |
| Pyrogallol SCHEMBL27979895 | 0.79 | CA1 (0.60) | ALDH1A1HSD17B10TSHRALOX15LMNA | |
| Aniline SCHEMBL5361774 | 0.79 | ALDH1A1 (0.56) | ALDH1A1HSD17B10TSHRALOX15LMNA | |
| Questiomycin B SCHEMBL454283 | 0.79 | ALOX15 (0.65) | ALDH1A1HSD17B10TSHRALOX15LMNA | |
| Questiomycin B SCHEMBL11671248 | 0.79 | ALOX15 (0.65) | ALDH1A1HSD17B10TSHRALOX15LMNA | |
| Questiomycin B SCHEMBL3202463 | 0.78 | ALOX15 (0.71) | ALDH1A1HSD17B10TSHRALOX15LMNA | |
| Questiomycin B SCHEMBL27340296 | 0.78 | ALOX15 (0.71) | ALDH1A1HSD17B10TSHRALOX15LMNA | |
| Questiomycin B SCHEMBL27884541 | 0.78 | ALOX15 (0.71) | ALDH1A1HSD17B10TSHRALOX15LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108484670-B | Synthetic method of phosphorus-containing benzoxazinone compounds | 西北师范大学 | 2020-11-24 | — | — | CN | disclosed |
| CN-108484670-A | A kind of synthetic method of phosphorous benzoxazin ketone compound | 西北师范大学 | 2018-09-04 | — | — | CN | disclosed |