Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | APP | P05067 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | SNCA | P37840 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.55 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | SLCO1B3 | Q9NPD5 | 2/20 | 0.53 |
| ▸ | SLCO1B1 | Q9Y6L6 | 2/20 | 0.53 |
| ▸ | RARA | P10276 | 6/20 | 0.53 |
| ▸ | RARB | P10826 | 6/20 | 0.53 |
| ▸ | RARG | P13631 | 6/20 | 0.53 |
| ▸ | RXRA | P19793 | 6/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Beta-Ionone SCHEMBL10908008 | 1.00 | CYP1A2 (0.62) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL17627827 | 0.90 | CYP1A2 (0.76) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL23954 | 0.90 | CYP1A2 (0.76) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL23953 | 0.90 | CYP1A2 (0.76) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL1867200 | 0.90 | CYP1A2 (0.76) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL29180287 | 0.88 | CYP1A2 (0.73) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL11728252 | 0.88 | CYP1A2 (0.73) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL12501745 | 0.87 | CYP1A2 (0.71) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL11651364 | 0.84 | CYP1A2 (0.68) | CYP1A2ALDH1A1CYP3A4APPALOX15 | |
| Beta-Ionone SCHEMBL8367948 | 0.82 | CYP1A2 (0.64) | CYP1A2ALDH1A1CYP3A4APPALOX15 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4615830-A | Isomer-directed process for producing asymmetric ketones using catalytic Claisen rearrangement of allylic ethers, intermediates, and uses of products and intermediates of process in perfumery | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1986-10-07 | — | — | US | claimed |