Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | ALB | P02768 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 4/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 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 | |
|---|---|---|---|---|
| SCHEMBL2958367 | 0.88 | TTR (0.54) | TTRALBALDH1A1CYP3A4TDP1 | |
| SCHEMBL627108 | 0.84 | CYP3A4 (0.50) | ALDH1A1CYP3A4TDP1TSHREGLN2 | |
| SCHEMBL98131 | 0.78 | TTR (0.48) | TTRALBALDH1A1TSHREGLN2 | |
| Iodide SCHEMBL1704562 | 0.77 | TTR (0.46) | TTRALBALDH1A1TSHREGLN2 | |
| SCHEMBL22197816 | 0.74 | TTR (0.58) | TTRALBALDH1A1TSHRCHRM2 | |
| SCHEMBL1182463 | 0.74 | ALDH1A1 (0.50) | TTRALBALDH1A1CYP3A4TDP1 | |
| SCHEMBL171718 | 0.73 | TTR (0.52) | TTRALBALDH1A1TSHRCYP2A6 | |
| SCHEMBL2565697 | 0.73 | TTR (0.46) | TTRALBALDH1A1EGLN2CYP2A6 | |
| SCHEMBL2339085 | 0.73 | ALDH1A1 (0.39) | TTRALBALDH1A1CYP3A4TDP1 | |
| SCHEMBL31483658 | 0.73 | TTR (0.46) | TTRALBALDH1A1EGLN2CYP2A6 |
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-1861357-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006101318-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-28 | — | — | WO | disclosed |