Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | CNR2 | P34972 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 1/20 | 0.40 |
| ▸ | ADH1A | P07327 | 1/20 | 0.40 |
| ▸ | ADH7 | P40394 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL3667900 | 0.82 | CYP2C19 (0.53) | CYP2C19CYP2D6SRCSMN1; SMN2ADH1B | |
| SCHEMBL11546369 | 0.80 | CYP2C19 (0.55) | CYP2C19CYP2D6SRCSMN1; SMN2TBXAS1 | |
| SCHEMBL8196240 | 0.80 | HTR2A (0.55) | CYP2C19CYP2D6MTNR1AMTNR1BSMN1; SMN2 | |
| SCHEMBL30371912 | 0.79 | CYP2C19 (0.61) | CYP2C19CYP2D6SRCSMN1; SMN2TBXAS1 | |
| SCHEMBL23625038 | 0.79 | KDM4E (0.52) | CYP2C19MTNR1AMTNR1BSMN1; SMN2ADH1B | |
| SCHEMBL4450825 | 0.79 | HTR2A (0.60) | CYP2C19CYP2D6MTNR1AMTNR1BSMN1; SMN2 | |
| SCHEMBL14342900 | 0.78 | CYP2C19 (0.45) | CYP2C19CYP2D6MTNR1AMTNR1BSMN1; SMN2 | |
| SCHEMBL9333135 | 0.77 | KDM4E (0.59) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL9333117 | 0.77 | KDM4E (0.59) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL2112017 | 0.77 | CYP2C19 (0.44) | CYP2C19CYP2D6MTNR1AMTNR1BSMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1427703-A1 | PYRIDINIUM-BETAIN COMPOUNDS AS TASTE ENHANCER | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003022817-A1 | PYRIDINIUM-BETAIN COMPOUNDS AS TASTE ENHANCER | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 2003-03-20 | — | — | WO | disclosed |