Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 4/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | ASPH | Q12797 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | FBP1 | P09467 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25518364 | 0.76 | HDAC1 (0.36) | HDAC1NLRP3CES1HDAC8HDAC6 | |
| SCHEMBL18629308 | 0.76 | HDAC1 (0.40) | HDAC1NLRP3CES1HDAC8HDAC6 | |
| SCHEMBL15053076 | 0.73 | KDM4E (0.46) | HDAC1CES1ALOX15TSHRKDM4E | |
| SCHEMBL2481569 | 0.72 | ASPH (0.37) | HDAC1CES1HDAC8HDAC6ALOX15 | |
| SCHEMBL23021251 | 0.71 | HDAC1 (0.37) | HDAC1NLRP3CES1HDAC8HDAC6 | |
| SCHEMBL3370259 | 0.71 | ELANE (0.37) | HDAC1NLRP3CES1HDAC8HDAC6 | |
| SCHEMBL3539633 | 0.71 | ELANE (0.37) | HDAC1NLRP3CES1HDAC8HDAC6 | |
| SCHEMBL554753 | 0.70 | KLKB1 (0.50) | HDAC1CES1HDAC8HDAC6ALOX15 | |
| SCHEMBL3347980 | 0.70 | MMP2 (0.43) | HDAC1NLRP3 | |
| SCHEMBL1660252 | 0.70 | IDH2 (0.51) | TDP1HIF1APTGS1PTGS2ALDH1A1 |
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-102137851-A | Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same | AMOREPACIFIC CORP | 2011-07-27 | — | — | CN | disclosed |