Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5708070 | 0.81 | IDO1 (0.30) | — | |
| SCHEMBL4476053 | 0.80 | SHBG (0.40) | TSHRCYP1A2ALDH1A1NPSR1 | |
| SCHEMBL29856019 | 0.80 | IDO1 (0.31) | APLNRCYP1A2 | |
| SCHEMBL6337108 | 0.80 | IDO1 (0.31) | APLNRCYP1A2 | |
| SCHEMBL4463804 | 0.79 | SHBG (0.43) | TSHRCYP1A2ALDH1A1NPSR1 | |
| SCHEMBL4662977 | 0.78 | SHBG (0.31) | — | |
| SCHEMBL5708081 | 0.77 | IDO1 (0.32) | — | |
| SCHEMBL5708038 | 0.74 | IDO1 (0.31) | — | |
| SCHEMBL5708063 | 0.74 | IDO1 (0.31) | — | |
| SCHEMBL5708048 | 0.73 | — | — |
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-6919477-B2 | Fruity musk compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2005-07-19 | — | — | US | disclosed |
| US-6774260-B2 | ALKYL 1-(3,3-DIMETHYLCYCLOHEXYL) ETHYL MALONATE DERIVATIVES; SOAPS, COSMETICS, PERFUMES, CLEANING COMPOUNDS, DETERGENTS; MUSKY ODOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2004-08-10 | — | — | US | disclosed |
| EP-1398366-A1 | Fruity musk compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2004-03-17 | — | — | EP | disclosed |