Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | TYR | P14679 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9675476 | 0.90 | MAPT (0.48) | TSHRBLMNPSR1HSD17B2CYP3A4 | |
| SCHEMBL11507071 | 0.80 | ALOX15 (0.49) | TSHRNPSR1CYP3A4PMP22 | |
| SCHEMBL11506989 | 0.78 | CYP1A2 (0.41) | TSHRCYP3A4PMP22GAAACHE | |
| SCHEMBL2391876 | 0.76 | HSD17B2 (0.57) | TSHRBLMNPSR1HSD17B2CYP3A4 | |
| SCHEMBL490843 | 0.76 | HSD17B2 (0.57) | TSHRBLMNPSR1HSD17B2CYP3A4 | |
| SCHEMBL6552375 | 0.76 | TSHR (0.60) | TSHRBLMNPSR1HSD17B2CYP3A4 | |
| SCHEMBL2993639 | 0.75 | PIN1 (0.50) | TSHRNPSR1GAALMNA | |
| SCHEMBL6275835 | 0.75 | CNR2 (0.61) | TSHRBLMHSD17B2NFKB1MAOB | |
| SCHEMBL16231326 | 0.75 | HSD17B2 (0.56) | TSHRBLMNPSR1HSD17B2CYP3A4 | |
| SCHEMBL6552373 | 0.74 | TSHR (0.57) | TSHRBLMNPSR1HSD17B2CYP3A4 |
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 |