Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDAH1 | O94760 | 2/20 | 0.52 |
| ▸ | NSD2 | O96028 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 6/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18870710 | 0.86 | DDAH1 (0.56) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL18871308 | 0.86 | DDAH1 (0.56) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL18871352 | 0.76 | DDAH1 (0.49) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL14571428 | 0.73 | KMT2A (0.71) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL18871301 | 0.72 | DDAH1 (0.76) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL18871351 | 0.69 | DDAH1 (0.75) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL2778924 | 0.68 | NSD2 (0.66) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL2778921 | 0.68 | NSD2 (0.66) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL2778917 | 0.68 | NSD2 (0.66) | DDAH1NSD2KMT2AMEN1GAA | |
| SCHEMBL5138891 | 0.64 | F2 (0.59) | KMT2AMEN1GAALMNAHPGD |
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 |