Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1253157 | 0.86 | GAA (0.49) | NCEH1TDP1GAAL3MBTL1ERN1 | |
| SCHEMBL6641110 | 0.83 | NCEH1 (0.43) | NCEH1TDP1GAAMEN1KMT2A | |
| SCHEMBL11250039 | 0.82 | L3MBTL1 (0.40) | TDP1GAAL3MBTL1ERN1POLB | |
| SCHEMBL3383364 | 0.81 | ERN1 (0.42) | TDP1GAAL3MBTL1ERN1POLB | |
| SCHEMBL2098305 | 0.81 | NCEH1 (0.42) | NCEH1TDP1GAAMEN1KMT2A | |
| SCHEMBL9485440 | 0.80 | GAA (0.47) | NCEH1TDP1GAAL3MBTL1ALDH1A1 | |
| SCHEMBL9575204 | 0.79 | ERN1 (0.40) | TDP1GAAL3MBTL1ERN1POLB | |
| SCHEMBL17222504 | 0.79 | ERN1 (0.40) | TDP1GAAL3MBTL1ERN1POLB | |
| SCHEMBL27516488 | 0.77 | KDM4E (0.63) | TDP1GAAERN1POLBMEN1 | |
| SCHEMBL5676874 | 0.77 | CA1 (0.40) | TDP1GAAL3MBTL1ERN1POLB |
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-2011101599-A1 | METHOD FOR PREPARING CHEMICAL COMPOUNDS OF INTEREST BY AROMATIC NUCLEOPHILIC SUBSTITUTION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2011-08-25 | — | — | WO | disclosed |