Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Di(Hydroxyethyl)Ether SCHEMBL28472606 | 0.83 | TSHR (0.59) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Taurine SCHEMBL8740794 | 0.83 | LMNA (0.64) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL1426586 | 0.83 | TSHR (0.67) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Triethylene Glycol SCHEMBL29262099 | 0.80 | MEN1 (0.69) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL28142381 | 0.80 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL17673122 | 0.80 | TSHR (0.62) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL375597 | 0.79 | TSHR (0.53) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL28929647 | 0.78 | TSHR (0.59) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL27495275 | 0.78 | TSHR (0.59) | TSHRMAPK1MEN1KMT2AALDH1A1 | |
| Di(Hydroxyethyl)Ether SCHEMBL1790189 | 0.78 | TSHR (0.59) | TSHRMAPK1MEN1KMT2AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111825624-B | Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2021-07-27 | — | — | CN | disclosed |
| CN-107935943-B | Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2021-06-29 | — | — | CN | disclosed |
| CN-111825624-A | Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof | 中国科学院理化技术研究所 | 2020-10-27 | — | — | CN | disclosed |