Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.42 |
| ▸ | FADS1 | O60427 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.40 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 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 | |
|---|---|---|---|---|
| SCHEMBL7985019 | 0.96 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1GAAHPGDANO1 | |
| SCHEMBL15471930 | 0.82 | ALDH1A1 (0.68) | ALDH1A1HPGDANO1FADS1PPARG | |
| SCHEMBL883798 | 0.82 | HPGD (0.61) | GAAHPGDPYGL | |
| Methylamine SCHEMBL7262148 | 0.82 | KCNA3 (0.45) | SMN1; SMN2ALDH1A1GAAHPGDANO1 | |
| SCHEMBL28869669 | 0.80 | HDAC8 (0.47) | ALDH1A1HPGDANO1FADS1PPARG | |
| SCHEMBL27676473 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HPGDANO1FADS1PPARG | |
| SCHEMBL2303946 | 0.79 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1HPGDPOLBAPEX1 | |
| SCHEMBL690577 | 0.79 | KEAP1 (0.61) | ALDH1A1GAAFADS1KEAP1CES2 | |
| SCHEMBL7987535 | 0.78 | ALDH1A1 (0.67) | SMN1; SMN2ALDH1A1GAAHPGDPOLB | |
| SCHEMBL7133296 | 0.78 | CES2 (0.61) | ALDH1A1GAAHPGDANO1KEAP1 |
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-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |