Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 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 | |
|---|---|---|---|---|
| SCHEMBL29083582 | 0.81 | ADRA2A (0.38) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL29083597 | 0.79 | HRH3 (0.34) | HTR1DHTR1B | |
| SCHEMBL12013420 | 0.78 | ADRA2A (0.41) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL25448188 | 0.70 | ALDH1A1 (0.43) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL28795205 | 0.70 | HTR1D (0.39) | HTR1DHTR1B | |
| SCHEMBL10823077 | 0.69 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL7983320 | 0.69 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL21667041 | 0.69 | HTR1D (0.43) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL7979673 | 0.69 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CADRA1DHTR1D | |
| SCHEMBL12013417 | 0.65 | HTR1D (0.41) | ADRA2AADRA2BADRA2CADRA1DHTR1D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116813666-A | Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-09-29 | — | — | CN | claimed |
| CN-116813451-A | Substituted benzyl alcohol compound and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-116813666-A | Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-09-29 | — | — | CN | disclosed |