Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.32 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3696640 | 1.00 | TRPA1 (0.39) | TRPA1GRIN2DGRIN3BADRA1DADRA1A | |
| SCHEMBL3699551 | 1.00 | TRPA1 (0.39) | TRPA1GRIN2DGRIN3BADRA1DADRA1A | |
| SCHEMBL3698551 | 0.82 | TBXAS1 (0.37) | CYP3A4KCNH2HRH3 | |
| SCHEMBL3693864 | 0.82 | TBXAS1 (0.37) | CYP3A4KCNH2HRH3 | |
| SCHEMBL3691132 | 0.82 | TBXAS1 (0.37) | CYP3A4KCNH2HRH3 | |
| SCHEMBL6076922 | 0.80 | TSHR (0.40) | — | |
| SCHEMBL2782912 | 0.79 | TAAR1 (0.36) | SLC6A2TAAR1MAOASLC6A4SLC6A3 | |
| SCHEMBL16398868 | 0.78 | TP53 (0.41) | — | |
| SCHEMBL16398956 | 0.77 | TDP1 (0.44) | — | |
| SCHEMBL2457094 | 0.77 | PTPRA (0.38) | TRPA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2258696-A1 | Process for preparing enriched enantiomers of 3-(Benzo[1,3]dioxol-5-yl)-2-methylpropanal | ENDURA S.p.A. (IT) | 2010-12-08 | — | — | EP | claimed |
| EP-2258696-A1 | Process for preparing enriched enantiomers of 3-(Benzo[1,3]dioxol-5-yl)-2-methylpropanal | ENDURA S.p.A. (IT) | 2010-12-08 | — | — | EP | disclosed |
| EP-2258696-A1 | Process for preparing enriched enantiomers of 3-(Benzo[1,3]dioxol-5-yl)-2-methylpropanal | ENDURA S.p.A. (IT) | 2010-12-08 | — | — | EP | disclosed |
| WO-2010131274-A1 | PROCESS FOR PREPARING HYDROCINNAMIC ALDEHYDES IN ENANTIOPURE OR ENANTIOMERICALLY ENRICHED FORM | ENDURA S.P.A (IT) | 2010-11-18 | — | — | WO | disclosed |