Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KLK7 | P49862 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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) | KDM4EKMT2AMEN1ALDH1A1CA12 | |
| SCHEMBL28166474 | 0.82 | ALDH1A1 (0.55) | KDM4EKCNH3KMT2AMEN1ALDH1A1 | |
| SCHEMBL3297751 | 0.82 | ALDH1A1 (0.37) | KDM4EKMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL3292771 | 0.82 | ALDH1A1 (0.46) | KCNH3KMT2AMEN1ALDH1A1CA12 | |
| SCHEMBL3300265 | 0.82 | MAPT (0.42) | KDM4EKCNH3KMT2AMEN1ALDH1A1 | |
| SCHEMBL3296473 | 0.81 | KCNH3 (0.43) | KDM4EKCNH3KMT2AMEN1ALDH1A1 | |
| SCHEMBL3321415 | 0.78 | ALDH1A1 (0.63) | KDM4EKCNH3KMT2AMEN1ALDH1A1 | |
| SCHEMBL3292777 | 0.76 | CYP3A4 (0.46) | KMT2AMEN1ALDH1A1NPC1RAB9A | |
| SCHEMBL28304647 | 0.75 | ALDH1A1 (0.64) | KDM4EKCNH3KMT2AMEN1ALDH1A1 | |
| SCHEMBL2392990 | 0.75 | KMT2A (0.51) | KDM4EKCNH3KMT2AMEN1KLK7 |
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 |