Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | BCL9 | O00512 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1119103 | 0.93 | — | — | |
| SCHEMBL10567055 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28173328 | 0.91 | — | — | |
| SCHEMBL28044820 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL28202037 | 0.88 | ALDH1A1 (0.50) | ALDH1A1FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL28111058 | 0.84 | ALDH1A1 (0.46) | ALDH1A1FFAR3HDAC3HDAC1HDAC2 | |
| Butane SCHEMBL7832973 | 0.80 | FFAR3 (0.44) | ALDH1A1FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL460009 | 0.79 | — | — | |
| SCHEMBL12393350 | 0.78 | ALDH1A1 (0.44) | ALDH1A1FFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL28753517 | 0.77 | TSHR (0.46) | ALDH1A1CES2CES1HPGDMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110437244-A | A kind of synthetic method of Frutinone class compound | UNIV YANGTZE | 2019-11-12 | — | — | CN | claimed |
| CN-107686456-A | A kind of quinolione key intermediate ethyl ester aminate and its preparation method and application | 杭州师范大学 | 2018-02-13 | — | — | CN | claimed |
| CN-110437244-A | A kind of synthetic method of Frutinone class compound | UNIV YANGTZE | 2019-11-12 | — | — | CN | disclosed |
| CN-110437244-A | A kind of synthetic method of Frutinone class compound | UNIV YANGTZE | 2019-11-12 | — | — | CN | disclosed |
| CN-109096239-A | Application of the preparation route of 9- anthrone lactone skeleton compound and the like in anti-tumor aspect | 中国海洋大学 | 2018-12-28 | — | — | CN | disclosed |
| CN-107686456-B | A kind of quinolione key intermediate ethyl ester aminate and its preparation method and application | 杭州师范大学 | 2018-10-23 | — | — | CN | disclosed |
| CN-107686456-A | A kind of quinolione key intermediate ethyl ester aminate and its preparation method and application | 杭州师范大学 | 2018-02-13 | — | — | CN | disclosed |
| CN-102464621-B | Ether compound containing pyrimidine rings and application thereof | SINOCHEM CORP | 2014-09-03 | — | — | CN | disclosed |
| CN-1252069-C | 2-aryl-naphthyridin-4-ones as antitumor agents | UNIV NORTH CAROLINA CHAPEL HILL (US) | 2006-04-19 | — | — | CN | disclosed |
| CN-1259947-A | 2-aryl-naphthyridin-4-ones as antitumor agents | UNIV NORTH CAROLINA CHAPEL HILL (US) | 2000-07-12 | — | — | CN | disclosed |