Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | F13A1 | P00488 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | TACR2 | P21452 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7358030 | 0.85 | CA2 (0.58) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| SCHEMBL7675448 | 0.79 | ESR1 (0.62) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| SCHEMBL9267260 | 0.76 | FNTA (0.53) | ESR1ESR2ALDH1A1L3MBTL1PKM | |
| Raspberryketone SCHEMBL43308 | 0.76 | ALDH1A1 (0.65) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| SCHEMBL10909669 | 0.76 | ESR1 (0.56) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| SCHEMBL3873458 | 0.72 | ESR1 (1.00) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| SCHEMBL69344 | 0.72 | ESR1 (1.00) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| Raspberryketone SCHEMBL8759829 | 0.72 | ALDH1A1 (0.61) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| SCHEMBL10613622 | 0.72 | ESR1 (0.52) | ESR1ESR2CA2TMEM97SIGMAR1 | |
| Hydroxyphenyl Propionic Acid SCHEMBL7727261 | 0.72 | FFAR1 (0.61) | ESR1ESR2CA2KDM4EL3MBTL1 |
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-1934069-A | Amino acid derivatives | NOVARTIS AG (CH) | 2007-03-21 | — | — | CN | disclosed |