Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL14861292 | 0.87 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| 1,3-Propanediol SCHEMBL2591424 | 0.87 | TP53 (0.40) | ALDH1A1SMN1; SMN2LMNAHSD17B10GPR84 | |
| Butyl Alcohol SCHEMBL28178551 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL28133143 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Lactic Acid SCHEMBL567251 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL18281407 | 0.85 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Lactic Acid SCHEMBL6709751 | 0.83 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL28284920 | 0.82 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Propylene Glycol SCHEMBL28867344 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL148760 | 0.81 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3334294-A1 | FLAVOR CAPSULES FOR SMOKING ARTICLES | Philip Morris Products S.a.s. (CH) | 2018-06-20 | — | — | EP | disclosed |
| WO-2017025924-A1 | FLAVOR CAPSULES FOR SMOKING ARTICLES | PHILIP MORRIS PRODUCTS S.A. (CH) | 2017-02-16 | — | — | WO | disclosed |