Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9206244 | 0.92 | HIF1A (0.41) | HIF1AALDH1A1POLBL3MBTL1CYP3A4 | |
| SCHEMBL29408576 | 0.89 | HIF1A (0.47) | HIF1AALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL29542438 | 0.89 | HIF1A (0.47) | HIF1AALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL26185009 | 0.89 | HIF1A (0.47) | HIF1AALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL9206238 | 0.87 | HIF1A (0.33) | HIF1AALDH1A1POLBL3MBTL1CYP3A4 | |
| SCHEMBL10412585 | 0.77 | ALDH1A1 (0.34) | ALDH1A1POLBL3MBTL1CYP3A4ALOX15 | |
| SCHEMBL10412586 | 0.77 | ALDH1A1 (0.34) | ALDH1A1POLBL3MBTL1CYP3A4ALOX15 | |
| SCHEMBL11136232 | 0.71 | ALDH1A1 (0.40) | HIF1AALDH1A1CYP3A4ALOX15TDP1 | |
| SCHEMBL10655589 | 0.68 | ALDH1A1 (0.46) | ALDH1A1POLBL3MBTL1 | |
| SCHEMBL12344286 | 0.67 | ALDH1A1 (0.37) | ALDH1A1CYP3A4ALOX15TDP1 |
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 |