Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10740995 | 1.00 | RELA (0.59) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL11319283 | 0.89 | RELA (0.71) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL11319280 | 0.89 | RELA (0.71) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL73178 | 0.85 | RELA (0.65) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL73179 | 0.85 | RELA (0.65) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL11322281 | 0.83 | RELA (0.83) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL11322285 | 0.83 | RELA (0.83) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL13673948 | 0.82 | RELA (0.57) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL490105 | 0.82 | RELA (0.61) | RELAPTGS1NQO2ALDH1A1GLA | |
| SCHEMBL29410850 | 0.82 | RELA (0.61) | RELAPTGS1NQO2ALDH1A1GLA |
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 |
|---|---|---|---|---|---|---|---|
| US-4672068-A | Antihypertensive 1,4-dihydropyridines having a conjugated ester | FUJIREBIO KABUSHIKI KAISHA (JP) | 1987-06-09 | — | — | US | claimed |