Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | FABP3 | P05413 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL29083609 | 0.81 | SLC6A2 (0.39) | ALDH1A1TSHRLMNA | |
| SCHEMBL29083591 | 0.80 | PTGS1 (0.35) | PTGS1TRPA1CACNA1CADRA2AADRA2B | |
| SCHEMBL22946251 | 0.73 | LMNA (0.42) | PTGS1TRPA1CACNA1CALDH1A1ADRA2A | |
| SCHEMBL7983320 | 0.70 | ADRA2A (0.43) | PTGS1TRPA1CACNA1CADRA2AADRA2B | |
| SCHEMBL8424222 | 0.69 | TRPA1 (0.36) | PTGS1TRPA1CACNA1CALDH1A1TSHR | |
| SCHEMBL18272433 | 0.69 | TRPA1 (0.36) | PTGS1TRPA1CACNA1CALDH1A1TSHR | |
| SCHEMBL1487378 | 0.68 | PTGS1 (0.54) | PTGS1TRPA1CACNA1CALDH1A1ADRA2A | |
| SCHEMBL2754950 | 0.66 | PTGS1 (0.55) | PTGS1TRPA1CACNA1CALDH1A1LMNA | |
| SCHEMBL12533349 | 0.66 | HTR2B (0.48) | PTGS1TRPA1CACNA1CALDH1A1ADRA2A | |
| SCHEMBL7979673 | 0.66 | ADRA2A (0.43) | PTGS1TRPA1CACNA1CALDH1A1ADRA2A |
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-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 |
| 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 |