Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11121776 | 0.94 | ALDH1A1 (0.54) | ALDH1A1PTGS1FAAHHCAR2LMNA | |
| SCHEMBL11121777 | 0.94 | ALDH1A1 (0.54) | ALDH1A1PTGS1FAAHHCAR2LMNA | |
| SCHEMBL3300822 | 0.89 | TAS1R3 (0.39) | ALDH1A1PTGS1FAAHTAS1R3TAS1R1 | |
| SCHEMBL3299574 | 0.89 | TAS1R3 (0.39) | ALDH1A1PTGS1FAAHTAS1R3TAS1R1 | |
| SCHEMBL869633 | 0.86 | F7 (0.48) | PTGS1FAAHTERTGMNNUSP2 | |
| SCHEMBL869635 | 0.86 | F7 (0.48) | PTGS1FAAHTERTGMNNUSP2 | |
| SCHEMBL6967729 | 0.86 | PTGS1 (0.32) | ALDH1A1PTGS1FAAHTAS1R3TAS1R1 | |
| SCHEMBL6967723 | 0.84 | PTGS1 (0.31) | PTGS1FAAH | |
| SCHEMBL6967726 | 0.84 | PTGS1 (0.31) | PTGS1FAAH | |
| SCHEMBL112504 | 0.84 | ALDH1A1 (0.44) | ALDH1A1PTGS1FAAHTAS1R3TAS1R1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |