Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9676215 | 0.90 | TSHR (0.52) | GAATSHRBLMNPSR1HSD17B2 | |
| SCHEMBL11506989 | 0.78 | CYP1A2 (0.41) | MAPTGAAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL28445738 | 0.77 | ALDH1A1 (0.48) | MAPTGAAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL2993639 | 0.75 | PIN1 (0.50) | MAPTGAAALDH1A1TSHRNPSR1 | |
| SCHEMBL9652071 | 0.75 | GAA (0.54) | MAPTGAAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL974150 | 0.75 | TSHR (0.69) | MAPTGAAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL11507071 | 0.75 | ALOX15 (0.49) | ALDH1A1KMT2ATSHRL3MBTL1NPSR1 | |
| SCHEMBL974152 | 0.75 | TSHR (0.69) | MAPTGAAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL30112581 | 0.75 | TSHR (0.69) | MAPTGAAALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL29350145 | 0.75 | TSHR (0.69) | MAPTGAAALDH1A1SMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5129954-A | BETA-HYDROXYESTERS FOR USE AS VANILLIN-RELEASE ADDITIVES IN SMOKING COMPOSITIONS | PHILIP MORRIS INCORPORATED (US) | 1992-07-14 | — | — | US | claimed |
| EP-0461872-A2 | Smoking compositions containing a vanillin-release beta-hydroxyester additive | Philip Morris Products Inc. (US) | 1991-12-18 | — | — | EP | claimed |
| US-5129954-A | BETA-HYDROXYESTERS FOR USE AS VANILLIN-RELEASE ADDITIVES IN SMOKING COMPOSITIONS | PHILIP MORRIS INCORPORATED (US) | 1992-07-14 | — | — | US | disclosed |
| EP-0461872-A2 | Smoking compositions containing a vanillin-release beta-hydroxyester additive | Philip Morris Products Inc. (US) | 1991-12-18 | — | — | EP | disclosed |