Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.32 |
| ▸ | APP | P05067 | 4/20 | 0.32 |
| ▸ | SNCA | P37840 | 4/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 7/20 | 0.32 |
| ▸ | RARA | P10276 | 5/20 | 0.32 |
| ▸ | RARB | P10826 | 5/20 | 0.32 |
| ▸ | RARG | P13631 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11356723 | 1.00 | CYP1A2 (0.38) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL11356731 | 1.00 | CYP1A2 (0.38) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL14879979 | 0.81 | CYP1A2 (0.39) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL11447651 | 0.79 | CYP1A2 (0.38) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL14880058 | 0.76 | CYP1A2 (0.38) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL14880056 | 0.76 | CYP1A2 (0.38) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL1628486 | 0.76 | CYP1A2 (0.40) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL9389556 | 0.74 | CYP1A2 (0.38) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL3396757 | 0.74 | CYP1A2 (0.39) | CYP1A2ALDH1A1PTGS1LMNADRD3 | |
| SCHEMBL10621404 | 0.71 | — | — |
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 |