Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 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 | |
|---|---|---|---|---|
| SCHEMBL28044832 | 0.75 | TAAR1 (0.66) | SMN1; SMN2ALDH1A1HSD17B1HSD17B2KMT2A | |
| SCHEMBL4559373 | 0.71 | ALDH1A1 (0.68) | SMN1; SMN2NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL4559372 | 0.71 | ALDH1A1 (0.68) | SMN1; SMN2NPC1RAB9AALDH1A1MEN1 | |
| 3-Hydroxyphenylacetate SCHEMBL337470 | 0.69 | CTBP2 (0.62) | CTBP2MAPTGAAKDM4ENFKB1 | |
| 3-Hydroxyphenylacetate SCHEMBL21114397 | 0.69 | CTBP2 (0.62) | CTBP2MAPTGAAKDM4ENFKB1 | |
| 3-Hydroxyphenylacetate SCHEMBL30024342 | 0.69 | CTBP2 (0.62) | CTBP2MAPTGAAKDM4ENFKB1 | |
| 3-Hydroxyphenylacetate SCHEMBL30690861 | 0.69 | CTBP2 (0.62) | CTBP2MAPTGAAKDM4ENFKB1 | |
| SCHEMBL1357865 | 0.67 | CTBP2 (0.53) | CTBP2METHSD17B1HSD17B2MAPT | |
| 3-Hydroxyphenylacetate SCHEMBL8785135 | 0.67 | CTBP2 (0.61) | CTBP2MAPTGAAKDM4ENFKB1 | |
| SCHEMBL1748615 | 0.67 | ALDH1A1 (0.75) | NPC1RAB9AALDH1A1HSD17B2MEN1 |
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-105294458-B | A kind of anti-tumor small molecular compound and its preparation method and application | 中国人民解放军第四军医大学 | 2017-07-11 | — | — | CN | claimed |