Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL3300822 | 1.00 | TAS1R3 (0.39) | TAS1R3TAS1R1CA1CA2PTGS1 | |
| SCHEMBL3300253 | 0.89 | ALDH1A1 (0.42) | TAS1R3TAS1R1PTGS1FAAHALDH1A1 | |
| SCHEMBL5562622 | 0.87 | SMN1; SMN2 (0.36) | CA1CA2ALDH1A1ZDHHC7 | |
| SCHEMBL3454633 | 0.87 | SMN1; SMN2 (0.36) | CA1CA2ALDH1A1ZDHHC7 | |
| SCHEMBL3454631 | 0.87 | SMN1; SMN2 (0.36) | CA1CA2ALDH1A1ZDHHC7 | |
| SCHEMBL11121777 | 0.83 | ALDH1A1 (0.54) | PTGS1FAAHALDH1A1 | |
| SCHEMBL30496767 | 0.83 | TAS1R3 (0.39) | TAS1R3TAS1R1CA1CA2FAAH | |
| SCHEMBL11121776 | 0.83 | ALDH1A1 (0.54) | PTGS1FAAHALDH1A1 | |
| SCHEMBL13455428 | 0.83 | PTGS1 (0.39) | CA1CA2PTGS1FAAHALDH1A1 | |
| SCHEMBL20872361 | 0.81 | MGAM (0.46) | TAS1R3TAS1R1PTGS1FAAHEPHX2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111689887-B | Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof | 武汉大学 | 2022-04-01 | — | — | CN | disclosed |
| CN-112010910-B | Chiral ferrocene homoallylamine derivative and synthesis method and application thereof | 武汉大学 | 2021-04-27 | — | — | CN | disclosed |
| CN-112010910-A | Chiral ferrocene homoallylamine derivative and synthesis method and application thereof | 武汉大学 | 2020-12-01 | — | — | CN | disclosed |
| CN-111689887-A | Copper/iridium concerted catalysis asymmetric allylation/2-aza-Cope rearrangement reaction and application thereof | 武汉大学 | 2020-09-22 | — | — | CN | disclosed |
| US-7732365-B2 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2010-06-08 | — | — | US | disclosed |
| US-20060199728-A1 | Enantioselective amination and etherification | YALE UNIVERSITY (US) | 2006-09-07 | — | — | US | disclosed |
| WO-2004024684-A2 | ENANTIOSELECTIVE AMINATION AND ETHERIFICATION | YALE UNIVERSITY (US) | 2004-03-25 | — | — | WO | disclosed |
| US-4450285-A | CARBONYLATION OF UNSATURATED CARBONATE WITH CARBON MONOXIDE | THE DOW CHEMICAL COMPANY (US) | 1984-05-22 | — | — | US | disclosed |