Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28000326 | 0.81 | ALDH1A1 (0.33) | ALDH1A1MAPTHTT | |
| SCHEMBL13284222 | 0.78 | ALDH1A1 (0.36) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL5911694 | 0.72 | ALDH1A1 (0.39) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL6885375 | 0.71 | ALDH1A1 (0.38) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL14213759 | 0.69 | ALDH1A1 (0.45) | ALDH1A1GAALMNASLC15A2 | |
| SCHEMBL18982223 | 0.68 | PKM (0.42) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL6647762 | 0.68 | — | — | |
| SCHEMBL2844122 | 0.67 | PTPN1 (0.34) | ALDH1A1GAAMGAMSIMGAM2 | |
| SCHEMBL19859965 | 0.66 | — | — | |
| SCHEMBL31410480 | 0.65 | GAA (0.53) | ALDH1A1GAAMGAMSIMGAM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103664585-B | Preparation method of trifluoromethyl carbonyl compound | SHANGHAI INST ORGANIC CHEM | 2015-02-18 | — | — | CN | disclosed |
| EP-0103233-B1 | A METHOD TO TRAP THE ENOLATE ION OF THE MALONIC ACID OR ITS DERIVATIVES | Daikin Kogyo Co., Ltd. (JP) | 1987-11-25 | — | — | EP | disclosed |
| US-4578503-A | Alkylated or alkenylated malonic acid or its derivatives having a fluorine | DAIKIN KOGYO CO., LTD. (JP) | 1986-03-25 | — | — | US | disclosed |
| EP-0103233-A2 | A method to trap the enolate ion of the malonic acid or its derivatives | Daikin Kogyo Co., Ltd. (JP) | 1984-03-21 | — | — | EP | disclosed |