Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 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 | |
|---|---|---|---|---|
| SCHEMBL23361506 | 0.78 | ESR1 (0.58) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL6202860 | 0.78 | ESR1 (0.52) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL6220718 | 0.75 | ESR1 (0.52) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| O-Xylene SCHEMBL7221582 | 0.74 | TSHR (0.59) | ESR1SLC6A2SLC6A4SLC6A3TSHR | |
| SCHEMBL8082747 | 0.73 | ESR1 (0.62) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL2095602 | 0.72 | ESR1 (0.54) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL8750626 | 0.72 | ESR1 (0.50) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL1357005 | 0.71 | ALDH1A1 (0.39) | ADRA2AADRA2CALDH1A1CYP2D6LMNA | |
| SCHEMBL18241957 | 0.71 | ESR1 (0.48) | ESR1SLC6A2SLC6A4SLC6A3ACP3 | |
| SCHEMBL14945445 | 0.71 | ESR1 (0.48) | ESR1SLC6A2SLC6A4SLC6A3ACP3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1404335-A1 | AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS | Astrazeneca AB (SE) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003000267-A1 | AMINO NICOTINATE DERIVATIVES AS GLUCOKINASE (GLK) MODULATORS | ASTRAZENECA AB (SE) | 2003-01-03 | — | — | WO | disclosed |