Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 13/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 9/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27705361 | 0.93 | KDM4E (0.38) | KDM4EALDH1A1RCE1GRIN1GRIN2B | |
| SCHEMBL2002188 | 0.79 | MAOB (0.36) | KDM4EALDH1A1RCE1MAOBEPHX2 | |
| SCHEMBL2004546 | 0.71 | ALDH1A1 (0.40) | KDM4EALDH1A1RCE1EPHX2NR1H4 | |
| SCHEMBL10781741 | 0.67 | KDM4E (0.39) | KDM4EALDH1A1RCE1GRIN1GRIN2B | |
| SCHEMBL11603971 | 0.60 | MCL1 (0.50) | KDM4EALDH1A1MAOB | |
| SCHEMBL17374995 | 0.60 | HPGD (0.50) | KDM4EALDH1A1EPHX2NR1H4PPARG | |
| SCHEMBL6812308 | 0.59 | ALDH1A1 (0.48) | KDM4EALDH1A1RCE1 | |
| SCHEMBL5806754 | 0.58 | KEAP1 (0.50) | KDM4EALDH1A1RCE1PLA2G7 | |
| SCHEMBL10781933 | 0.58 | GRIN1 (0.46) | ALDH1A1GRIN1GRIN2BEPHX2NR1H4 | |
| SCHEMBL4312790 | 0.58 | MAPT (0.39) | KDM4EALDH1A1RCE1EPHX2NR1H4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101163670-A | Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist, and pharmaceutical compositions containing the same | AMOREPACIFIC CORP (KR) | 2008-04-16 | — | — | CN | disclosed |