Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.36 |
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL11268392 | 1.00 | ALDH1A1 (0.36) | ALDH1A1MAPTPOLBKDM4EGAA | |
| SCHEMBL11260074 | 0.73 | MAPT (0.32) | ALDH1A1MAPTPOLBKDM4ETSHR | |
| SCHEMBL11260079 | 0.73 | MAPT (0.32) | ALDH1A1MAPTPOLBKDM4ETSHR | |
| SCHEMBL3503955 | 0.73 | ALDH1A1 (0.41) | ALDH1A1MAPTPOLBKDM4EGAA | |
| SCHEMBL4599771 | 0.73 | ALDH1A1 (0.41) | ALDH1A1MAPTPOLBKDM4EGAA | |
| SCHEMBL9027659 | 0.71 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EGAAATM | |
| SCHEMBL108518 | 0.68 | — | — | |
| SCHEMBL21247206 | 0.68 | — | — | |
| SCHEMBL7648836 | 0.66 | ALDH1A1 (0.46) | ALDH1A1MAPTPOLBKDM4EGAA | |
| SCHEMBL18871483 | 0.63 | — | — |
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-4313007-A | ENHANCING ORGANOLEPTIC PROPERTIES OF TOBACCO | GIVAUDAN CORPORATION (US) | 1982-01-26 | — | — | US | disclosed |
| EP-0007582-B1 | COMPOSITIONS AND PROCESS FOR REINFORCING, MODIFYING OR IMPROVING THE ORGANOLEPTIC PROPERTIES OF TOBACCO PRODUCTS AND COMPOUNDS USEFUL THEREFOR | L. GIVAUDAN & CIE Société Anonyme (CH) | 1981-11-25 | — | — | EP | disclosed |
| EP-0007582-A2 | Compositions and process for reinforcing, modifying or improving the organoleptic properties of tobacco products and compounds useful therefor | L. GIVAUDAN & CIE Société Anonyme (CH) | 1980-02-06 | — | — | EP | disclosed |
| US-4183363-A | Tobacco compositions flavored with 2-hydroxymethylenecyclohexanones | GIVAUDAN CORPORATION (US) | 1980-01-15 | — | — | US | disclosed |