Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | F12 | P00748 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL7449447 | 0.81 | ESR1 (0.45) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL1197054 | 0.79 | ALDH1A1 (0.47) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL9310523 | 0.79 | ALDH1A1 (0.47) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL11903290 | 0.79 | ALDH1A1 (0.47) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL13993318 | 0.77 | ESR1 (0.59) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL30507724 | 0.74 | ESR1 (0.56) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL1669099 | 0.73 | ESR1 (0.50) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL124623 | 0.72 | ESR1 (0.45) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL168464 | 0.72 | LMNA (0.52) | ESR1ALDH1A1GAAACP3TSHR | |
| SCHEMBL21552683 | 0.72 | ESR1 (0.45) | ESR1ALDH1A1GAAACP3TSHR |
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-1765795-A2 | ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Addex Pharmaceuticals SA (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005123703-A2 | ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2005-12-29 | — | — | WO | disclosed |