Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.37 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28773067 | 0.78 | ALDH1A1 (0.45) | BCHEFFAR1ALDH1A1CYP3A4ESR1 | |
| SCHEMBL239872 | 0.76 | ALDH1A1 (0.42) | FFAR1ALDH1A1CYP3A4ESR1ESR2 | |
| SCHEMBL8844985 | 0.75 | ALDH1A1 (0.40) | BCHEFFAR1ALDH1A1CYP3A4ESR1 | |
| SCHEMBL8480813 | 0.73 | CYP2C19 (0.44) | FFAR1ALDH1A1CYP3A4ESR1ESR2 | |
| SCHEMBL8844843 | 0.71 | TSHR (0.41) | BCHEFFAR1ALDH1A1CYP3A4ESR1 | |
| SCHEMBL8844840 | 0.71 | TSHR (0.41) | BCHEFFAR1ALDH1A1CYP3A4ESR1 | |
| SCHEMBL8483276 | 0.71 | HIF1A (0.46) | FFAR1ALDH1A1CYP3A4ESR1ESR2 | |
| SCHEMBL6270696 | 0.69 | CHEK1 (0.41) | ALDH1A1CYP3A4ESR1ESR2CYP1A2 | |
| SCHEMBL1790127 | 0.69 | USP2 (0.41) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL5580426 | 0.68 | KIF11 (0.64) | ALDH1A1CYP2C19KIF11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0002901-B1 | PROCESS FOR SUBSTITUTING AND DEQUATERNIZING PYRIDYL-ETHYL QUATERNARY SALTS OF PYRIDINE AND BIPYRIDINE BASES | REILLY INDUSTRIES, INC. (US) | 1982-05-12 | — | — | EP | disclosed |
| EP-0002901-A1 | Process for substituting and dequaternizing pyridyl-ethyl quaternary salts of pyridine and bipyridine bases | REILLY INDUSTRIES, INC. (US) | 1979-07-11 | — | — | EP | disclosed |
| US-4158093-A | Process for substituting and dequaternizing pyridylethyl quaternary salts of pyridine and bypyridine bases | REILLY TAR & CHEMICAL CORPORATION (US) | 1979-06-12 | — | — | US | disclosed |