Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.62 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.49 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.49 |
| ▸ | DRD2 | P14416 | 4/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24394021 | 0.82 | ESR1 (0.62) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL1660867 | 0.82 | ESR1 (0.62) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL3292547 | 0.82 | ADRA2A (0.72) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL3020498 | 0.79 | ESR1 (0.59) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL32679917 | 0.78 | ESR1 (0.57) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL7776691 | 0.74 | ESR1 (0.53) | ESR1ESR2ADRA2ADRD2SIGMAR1 | |
| SCHEMBL9534010 | 0.73 | ESR1 (0.51) | ESR1ESR2DRD2CYP1A1CYP1A2 | |
| SCHEMBL13518633 | 0.73 | ESR1 (0.51) | ESR1ESR2DRD2CYP1A1CYP1A2 | |
| SCHEMBL9549176 | 0.72 | ADRA2A (0.58) | ESR1ESR2ADRA2AADRA2BADRA2C | |
| SCHEMBL8816707 | 0.72 | ADRA2A (0.58) | ESR1ESR2ADRA2AADRA2BADRA2C |
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-2307394-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010002209-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2010-01-07 | — | — | WO | disclosed |