Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | STAT1 | P42224 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4443244 | 0.87 | BRD4 (0.68) | SMN1; SMN2CYP1A2CYP2C19GAAPTPN1 | |
| SCHEMBL5572207 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2CYP1A2CYP2C19GAAL3MBTL1 | |
| SCHEMBL8192523 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2CYP1A2CYP2C19GAAL3MBTL1 | |
| SCHEMBL8203991 | 0.81 | SMN1; SMN2 (0.57) | SMN1; SMN2CYP1A2CYP2C19GAAPTPN1 | |
| SCHEMBL31082406 | 0.80 | KDM4E (0.52) | CYP1A2GAAPTPN1L3MBTL1BRD4 | |
| SCHEMBL14214178 | 0.80 | MEN1 (0.59) | SMN1; SMN2CYP1A2CYP2C19GAAL3MBTL1 | |
| SCHEMBL3655453 | 0.79 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP1A2CYP2C19GAAPTPN1 | |
| SCHEMBL2320061 | 0.78 | SMN1; SMN2 (0.77) | SMN1; SMN2CYP1A2CYP2C19L3MBTL1ALDH1A1 | |
| SCHEMBL15348811 | 0.77 | GAA (0.64) | SMN1; SMN2CYP1A2CYP2C19GAAL3MBTL1 | |
| SCHEMBL8200993 | 0.76 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP1A2CYP2C19GAAL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101189243-A | Substituted heterocycles and their use as CHK1, PDK1 and PAK inhibitors | ASTRAZENECA AB (SE) | 2008-05-28 | — | — | CN | disclosed |