Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.49 |
| ▸ | ABAT | P80404 | 1/20 | 0.49 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA3 | P07451 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29954196 | 0.98 | PKM (0.51) | PKMPTGS2PTGS1PTPN2PTPN1 | |
| SCHEMBL1981806 | 0.98 | PKM (0.51) | PKMPTGS2PTGS1PTPN2PTPN1 | |
| SCHEMBL9686354 | 0.97 | PKM (0.50) | PKMPTGS2PTGS1PTPN2PTPN1 | |
| Syringaldehyde SCHEMBL31412823 | 0.84 | PKM (0.62) | PKMPTGS2PTGS1TDP1ALDH1A1 | |
| SCHEMBL4756891 | 0.83 | ALDH1A1 (0.49) | PKMPTGS2PTGS1TDP1ALDH1A1 | |
| SCHEMBL31454779 | 0.83 | PKM (0.50) | PKMPTGS2PTGS1PTPN2PTPN1 | |
| SCHEMBL4757716 | 0.83 | KMT2A (0.49) | PKMPTGS2PTGS1TDP1ALDH1A1 | |
| SCHEMBL9687000 | 0.82 | CYP1A2 (0.50) | PKMPTGS2PTGS1TDP1ALDH1A1 | |
| SCHEMBL198173 | 0.82 | PKM (0.57) | PKMPTGS2PTGS1PTPN2PTPN1 | |
| Potassium Ion SCHEMBL9688312 | 0.82 | ALDH1A1 (0.47) | PKMPTGS2PTGS1TDP1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0514202-A2 | Smoking compositions containing a vanillin-release additive | Philip Morris Products Inc. (US) | 1992-11-19 | — | — | EP | claimed |
| US-5144965-A | Vanillin carboxylate type additive pyrolyzes to ethyl vanillin; cigarettes | PHILIP MORRIS INCORPORATED (US) | 1992-09-08 | — | — | US | claimed |
| EP-0514202-A2 | Smoking compositions containing a vanillin-release additive | Philip Morris Products Inc. (US) | 1992-11-19 | — | — | EP | disclosed |
| US-5144965-A | Vanillin carboxylate type additive pyrolyzes to ethyl vanillin; cigarettes | PHILIP MORRIS INCORPORATED (US) | 1992-09-08 | — | — | US | disclosed |