Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL9490042 | 0.78 | PTGS2 (0.42) | PTGS2RXRARXRBNOS3NOS1 | |
| SCHEMBL5692252 | 0.76 | DHFR (0.41) | PTGS2 | |
| SCHEMBL28671562 | 0.75 | CYP11B1 (0.35) | TAAR1 | |
| SCHEMBL28806252 | 0.74 | PTGS2 (0.48) | PTGS2RXRARXRBNOS3NOS1 | |
| SCHEMBL439074 | 0.74 | PTGS2 (0.48) | PTGS2RXRARXRBNOS3NOS1 | |
| SCHEMBL21727726 | 0.74 | CA2 (0.46) | PTGS2RXRARXRBTAAR1TP53 | |
| SCHEMBL15952484 | 0.73 | ESR1 (0.40) | TAAR1ESR1 | |
| SCHEMBL2769207 | 0.73 | CNR1 (0.41) | PTGS2RXRARXRBTAAR1TP53 | |
| SCHEMBL23202733 | 0.71 | PTGS2 (0.46) | PTGS2RXRARXRBNOS3NOS1 | |
| SCHEMBL23202780 | 0.71 | PTGS2 (0.46) | PTGS2RXRARXRBNOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109776422-B | Chiral 1, 3-diaryl imidazole salt carbene precursor, synthesis method thereof, metal salt compound and application | 中国科学院上海有机化学研究所 | 2022-01-14 | — | — | CN | disclosed |
| CN-109776422-A | Chiral 1,3- diaryl imidazole salt carbene precursor, its synthetic method, metal salt complex and application | 中国科学院上海有机化学研究所 | 2019-05-21 | — | — | CN | disclosed |