Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SGMS2 | Q8NHU3 | 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 | |
|---|---|---|---|---|
| SCHEMBL3297829 | 0.87 | ALDH1A1 (0.46) | ALDH1A1KMT2AGAAMEN1TDP1 | |
| SCHEMBL28166475 | 0.82 | ALDH1A1 (0.55) | ALDH1A1PTPN1PTPN6PTPN11KMT2A | |
| SCHEMBL3294115 | 0.82 | KDM4E (0.42) | ALDH1A1KMT2AMEN1LMNAKDM4E | |
| SCHEMBL3300265 | 0.82 | MAPT (0.42) | ALDH1A1KMT2AGAAMEN1TDP1 | |
| SCHEMBL3292771 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KMT2AGAAMEN1CYP3A4 | |
| SCHEMBL3296473 | 0.78 | KCNH3 (0.43) | ALDH1A1KMT2AMEN1SLC6A4CYP3A4 | |
| SCHEMBL3321415 | 0.78 | ALDH1A1 (0.63) | ALDH1A1KMT2AGAAMEN1TDP1 | |
| SCHEMBL3292777 | 0.76 | CYP3A4 (0.46) | ALDH1A1KMT2AGAAMEN1SLC6A4 | |
| SCHEMBL18194512 | 0.70 | TSHR (0.40) | KMT2AMEN1TDP1CYP3A4ALOX15 | |
| SCHEMBL31575843 | 0.69 | CA1 (0.46) | ALDH1A1SLC6A4CYP3A4HSD17B10SGMS2 |
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 |