Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9854290 | 1.00 | TRPA1 (0.41) | TRPA1ALDH1A1CYP1A2GAAMGAM | |
| SCHEMBL17626380 | 0.98 | TRPA1 (0.42) | TRPA1ALDH1A1CYP1A2GAAMGAM | |
| SCHEMBL9438259 | 0.94 | ALDH1A1 (0.45) | TRPA1ALDH1A1CYP1A2GAAMGAM | |
| SCHEMBL9438339 | 0.93 | ALDH1A1 (0.46) | TRPA1ALDH1A1CYP1A2GAAMGAM | |
| SCHEMBL13044432 | 0.86 | DGKA (0.38) | ALDH1A1KMT2APOLBKDM4EMAPT | |
| SCHEMBL9438171 | 0.85 | CYP1A2 (0.48) | TRPA1ALDH1A1CYP1A2GAAMGAM | |
| SCHEMBL5632798 | 0.83 | DGKA (0.43) | ALDH1A1KMT2AMAPTHPGDMAPK1 | |
| SCHEMBL6740405 | 0.83 | TRPA1 (0.38) | TRPA1ALDH1A1CYP1A2GAAMGAM | |
| SCHEMBL7576617 | 0.82 | HTT (0.38) | — | |
| SCHEMBL1233246 | 0.81 | TSHR (0.44) | ALDH1A1GAAMGAMSIMGAM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0252736-B1 | PROCESS FOR PREPARING FLUORINE-CONTAINING CARBOXYLIC ACID ESTER | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1991-07-24 | — | — | EP | disclosed |
| US-4855487-A | Process for preparing fluorine-containing carboxylic acid ester | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1989-08-08 | — | — | US | disclosed |
| EP-0252736-A2 | Process for preparing fluorine-containing carboxylic acid ester | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1988-01-13 | — | — | EP | disclosed |