Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | SNCA | P37840 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11314530 | 0.78 | CYP1A2 (0.36) | ALDH1A1CYP1A2LMNAPTGS1DRD3 | |
| SCHEMBL11455628 | 0.77 | CYP1A2 (0.36) | ALDH1A1CYP1A2LMNAPTGS1DRD3 | |
| SCHEMBL23052820 | 0.77 | ALDH1A1 (0.32) | ALDH1A1CYP1A2LMNAPTGS1DRD3 | |
| SCHEMBL11323414 | 0.77 | CYP1A2 (0.35) | ALDH1A1CYP1A2LMNAPTGS1DRD3 | |
| SCHEMBL14880056 | 0.73 | CYP1A2 (0.38) | ALDH1A1CYP1A2LMNAPTGS1DRD3 | |
| SCHEMBL14880058 | 0.73 | CYP1A2 (0.38) | ALDH1A1CYP1A2LMNAPTGS1DRD3 | |
| SCHEMBL1628486 | 0.73 | CYP1A2 (0.40) | ALDH1A1CYP1A2LMNAPTGS1DRD3 | |
| SCHEMBL20440810 | 0.72 | DUSP3 (0.38) | CYP1A2HAO1 | |
| SCHEMBL3396757 | 0.71 | CYP1A2 (0.39) | ALDH1A1CYP1A2LMNAPTGS1DRD3 | |
| SCHEMBL14879979 | 0.71 | CYP1A2 (0.39) | ALDH1A1CYP1A2LMNAPTGS1DRD3 |
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-4226892-A | Flavoring with cycloaliphatic unsaturated ketones | FIRMENICH SA (CH) | 1980-10-07 | — | — | US | disclosed |
| US-4187863-A | Cycloaliphatic unsaturated ketones as odor and taste modifying agents in tobacco products | FIRMENICH SA (CH) | 1980-02-12 | — | — | US | disclosed |
| US-3975310-A | PERFUME | FIRMENICH S.A. (CH) | 1976-08-17 | — | — | US | disclosed |
| US-3931326-A | FLAVOR, TASTE, ODOR, PERFUMES | FIRMENICH SA (CH) | 1976-01-06 | — | — | US | disclosed |