Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 3/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8925447 | 0.94 | TSHR (0.33) | ALDH1A1TSHRFAAHTRPV1LPAR3 | |
| SCHEMBL8926544 | 0.92 | ALDH1A1 (0.50) | ALDH1A1TSHRFAAHTRPV1FASN | |
| SCHEMBL8927116 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TSHRFAAHTRPV1FASN | |
| SCHEMBL1101181 | 0.87 | FAAH (0.48) | ALDH1A1TSHRFAAHTRPV1LPAR3 | |
| SCHEMBL4442060 | 0.87 | FAAH (0.48) | ALDH1A1TSHRFAAHTRPV1LPAR3 | |
| SCHEMBL8926884 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TSHRFAAHTRPV1FASN | |
| SCHEMBL8927370 | 0.85 | TSHR (0.42) | ALDH1A1TSHRFAAHTRPV1FASN | |
| SCHEMBL16588385 | 0.85 | FAAH (0.45) | FAAHTRPV1GMNNUSP2LMNA | |
| SCHEMBL11882692 | 0.85 | FAAH (0.48) | ALDH1A1TSHRFAAHTRPV1FASN | |
| SCHEMBL8927352 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5600034-A | HEAT TREATING DIALLYL ETHERS IN PRESENCE OF CATALYST CONTAINING PALLADIUM AND PHOSPHORUS COMPOUNDS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1997-02-04 | — | — | US | disclosed |