Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9201503 | 0.91 | MAPT (0.44) | MAPTALOX15TRPA1RXRACYP1A2 | |
| SCHEMBL9199028 | 0.87 | MAPT (0.54) | MAPTALOX15TRPA1RXRACYP1A2 | |
| SCHEMBL9199030 | 0.87 | MAPT (0.54) | MAPTALOX15TRPA1RXRACYP1A2 | |
| SCHEMBL9201507 | 0.81 | MAPT (0.43) | MAPTALOX15TRPA1RXRA | |
| SCHEMBL8631472 | 0.76 | MAPT (0.43) | MAPTALOX15TRPA1CYP1A2 | |
| SCHEMBL13594137 | 0.75 | MAPT (0.52) | MAPTALOX15TRPA1CYP1A2 | |
| SCHEMBL10413442 | 0.74 | MAPT (0.50) | MAPTALOX15TRPA1CYP1A2 | |
| SCHEMBL10413440 | 0.74 | MAPT (0.50) | MAPTALOX15TRPA1CYP1A2 | |
| SCHEMBL8631467 | 0.73 | MAPT (0.46) | MAPTALOX15TRPA1CYP1A2 | |
| Bicarbonate SCHEMBL8631469 | 0.73 | MAPT (0.51) | MAPTALOX15TRPA1RXRACYP1A2 |
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-0509983-B1 | OXO-IONOL CARBONATES USEFUL AS TOBACCO FLAVORANTS | GIVAUDAN ROURE INT (CH) | 1995-11-29 | — | — | EP | disclosed |
| US-4992106-A | Haylike flavor to smoke; cigarettes | BASF CORPORATION (US) | 1991-02-12 | — | — | US | disclosed |
| US-4827012-A | STABLE TOBACCO FLAVORANTS | BASF CORPORATION (US) | 1989-05-02 | — | — | US | disclosed |