Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.87 |
| ▸ | MEN1 | O00255 | 1/20 | 0.87 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13108662 | 1.00 | KMT2A (0.87) | KMT2AMEN1POLBGAAHSD11B1 | |
| SCHEMBL13099490 | 1.00 | KMT2A (0.87) | KMT2AMEN1POLBGAAHSD11B1 | |
| SCHEMBL13108664 | 0.93 | MEN1 (1.00) | KMT2AMEN1POLBGAAHSD11B1 | |
| SCHEMBL13099487 | 0.93 | MEN1 (1.00) | KMT2AMEN1POLBGAAHSD11B1 | |
| SCHEMBL13099645 | 0.84 | KMT2A (0.62) | KMT2AMEN1POLBGAAHSD11B1 | |
| SCHEMBL13108381 | 0.84 | KMT2A (0.62) | KMT2AMEN1POLBGAAALDH1A1 | |
| SCHEMBL13108603 | 0.84 | KMT2A (0.62) | KMT2AMEN1POLBGAAHSD11B1 | |
| SCHEMBL13099617 | 0.84 | KMT2A (0.62) | KMT2AMEN1POLBGAAALDH1A1 | |
| SCHEMBL13108436 | 0.83 | MEN1 (0.61) | KMT2AMEN1POLBGAAHSD11B1 | |
| SCHEMBL13099625 | 0.83 | MEN1 (0.61) | KMT2AMEN1POLBHSD11B1PREP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010037050-A2 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF KANSAS (US) | 2010-04-01 | — | — | WO | disclosed |