Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 SCHEMBL27942738 | 0.87 | ALDH1A1 (0.47) | ALDH1A1HSD17B10LMNARAB9ANPC1 | |
| SCHEMBL389839 | 0.84 | — | — | |
| SCHEMBL30403656 | 0.82 | — | — | |
| Ethyl Acetate SCHEMBL28207223 | 0.81 | ALDH1A1 (0.52) | ALDH1A1HSD17B10LMNARAB9ANPC1 | |
| SCHEMBL4391726 | 0.80 | GAA (0.46) | ALDH1A1HSD17B10HPGDKMT2AMAPT | |
| Ethyl Acetate SCHEMBL4030736 | 0.79 | ALDH1A1 (0.50) | ALDH1A1HSD17B10LMNARAB9ANPC1 | |
| Acrylic Acid SCHEMBL28332056 | 0.79 | RAB9A (0.43) | ALDH1A1HSD17B10LMNARAB9ANPC1 | |
| Ethyl Acetate SCHEMBL27923714 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HSD17B10LMNARAB9ANPC1 | |
| Ethyl Acetate SCHEMBL27923708 | 0.78 | HSD17B10 (0.51) | ALDH1A1HSD17B10LMNARAB9ANPC1 | |
| Ethyl Acetate SCHEMBL27923721 | 0.77 | HSD17B10 (0.50) | ALDH1A1HSD17B10LMNARAB9ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103387583-B | Diaryl simultaneously [a, g] quinolizine class compound, its preparation method, pharmaceutical composition and its application | 中国科学院上海药物研究所 | 2018-04-13 | — | — | CN | disclosed |