Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDAH1 | O94760 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | NSD2 | O96028 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | XBP1 | P17861 | 1/20 | 0.47 |
| ▸ | MPI | P34949 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 4/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18871308 | 1.00 | DDAH1 (0.56) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL14571428 | 0.87 | KMT2A (0.71) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL18871303 | 0.86 | DDAH1 (0.52) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL18871352 | 0.80 | DDAH1 (0.49) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL18871301 | 0.75 | DDAH1 (0.76) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL18871350 | 0.74 | MAPT (0.46) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL18871351 | 0.72 | DDAH1 (0.75) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL24443875 | 0.72 | PABPC1 (0.44) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL2778921 | 0.71 | NSD2 (0.66) | DDAH1GAALMNAKMT2AMEN1 | |
| SCHEMBL2778917 | 0.71 | NSD2 (0.66) | DDAH1GAALMNAKMT2AMEN1 |
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-2017083719-A1 | TRANSITION METAL FREE METHODS OF SYNTHESIS OF BIARYL COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-05-18 | — | — | WO | disclosed |