Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | RXRA | P19793 | 7/20 | 0.52 |
| ▸ | RARA | P10276 | 7/20 | 0.52 |
| ▸ | RARB | P10826 | 7/20 | 0.52 |
| ▸ | RARG | P13631 | 7/20 | 0.52 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.49 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | SNCA | P37840 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7694174 | 1.00 | CYP1A2 (0.58) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL9840849 | 0.82 | CYP1A2 (0.54) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL2187774 | 0.82 | CYP1A2 (0.54) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL8595481 | 0.82 | CYP1A2 (0.54) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL2187769 | 0.82 | CYP1A2 (0.54) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL8331185 | 0.78 | RXRA (0.62) | CYP1A2RXRARARARARBRARG | |
| SCHEMBL8331188 | 0.78 | RXRA (0.62) | CYP1A2RXRARARARARBRARG | |
| Beta-Ionone SCHEMBL17627827 | 0.77 | CYP1A2 (0.76) | CYP1A2RXRARARARARBRARG | |
| Beta-Ionone SCHEMBL23954 | 0.77 | CYP1A2 (0.76) | CYP1A2RXRARARARARBRARG | |
| Beta-Ionone SCHEMBL23953 | 0.77 | CYP1A2 (0.76) | CYP1A2RXRARARARARBRARG |
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 |
|---|---|---|---|---|---|---|---|
| US-6348618-B1 | PREPARING ORGANOLEPTIC OR ANTIMICROBIAL COMPOUNDS BY CONTACTING BETA-KETO ESTER WITH MATERIAL SELECTED FROM BACTERIA, ENZYMES, AND MATERIAL HAVING ACIDIC OR ALKALINE PH, ELEVATING TEMPERATURE, EXPOSING TO LIGHT | GIVAUDAN ROURE (INTERNATIONAL) SA (CH) | 2002-02-19 | — | — | US | disclosed |
| EP-1090624-A2 | Beta ketoester | Givaudan SA (CH) | 2001-04-11 | — | — | EP | disclosed |
| EP-0911315-A1 | Beta-ketoester | Givaudan Roure (International) S.A. (CH) | 1999-04-28 | — | — | EP | disclosed |