Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 4/20 | 0.34 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | RXRG | P48443 | 2/20 | 0.33 |
| ▸ | PREP | P48147 | 2/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778159 | 0.86 | CA12 (0.40) | CA12CA1CA9PREP | |
| SCHEMBL15209167 | 0.75 | NOTUM (0.41) | IDO1CA12CA1CA9PREP | |
| SCHEMBL2761534 | 0.75 | CA12 (0.42) | IDO1CA12CA1CA9PREP | |
| SCHEMBL1295656 | 0.74 | IDO1 (0.48) | IDO1RXRARXRBRXRGTACR1 | |
| SCHEMBL6179207 | 0.73 | PREP (0.47) | CA12CA1CA9PREPALDH1A1 | |
| SCHEMBL1660103 | 0.72 | RXRA (0.43) | CA12CA1CA9RXRARXRB | |
| SCHEMBL23536705 | 0.70 | IDH1 (0.39) | IDO1 | |
| SCHEMBL5592016 | 0.70 | NOTUM (0.41) | IDO1 | |
| SCHEMBL22783327 | 0.70 | IDO1 (0.37) | IDO1 | |
| SCHEMBL30079980 | 0.70 | FABP3 (0.42) | RXRARXRBRXRGALDH1A1L3MBTL1 |
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 |