Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 5/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6335395 | 0.84 | SCN9A (0.37) | SCN9AEPHX1NPSR1MAPTCYP2C19 | |
| SCHEMBL6327731 | 0.82 | SCN9A (0.32) | SCN9A | |
| SCHEMBL6325837 | 0.82 | PTPN2 (0.35) | SCN9AEPHX1MAPTCYP2C19 | |
| SCHEMBL23494257 | 0.81 | SCN9A (0.33) | SCN9A | |
| SCHEMBL13195791 | 0.80 | SCN9A (0.36) | SCN9AEPHX1CYP2C19 | |
| SCHEMBL6334628 | 0.80 | CYP2C19 (0.38) | SCN9AEPHX1CYP2C19 | |
| SCHEMBL6325221 | 0.80 | NAAA (0.33) | SCN9AEPHX1 | |
| SCHEMBL27774495 | 0.79 | ATM (0.38) | SCN9AEPHX1CYP2C19 | |
| SCHEMBL3051316 | 0.79 | ATM (0.38) | SCN9AEPHX1CYP2C19 | |
| SCHEMBL28168096 | 0.77 | EPHX1 (0.44) | EPHX1CYP2C19 |
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 |