Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6334628 | 0.85 | CYP2C19 (0.38) | CYP2C19SCN9AEPHX2NAAAHTT | |
| SCHEMBL6336182 | 0.82 | SCN9A (0.33) | SCN9A | |
| SCHEMBL31412819 | 0.81 | MGAM (0.44) | CYP2C19SCN9AEPHX2NAAAEPHX1 | |
| SCHEMBL6327829 | 0.81 | MGAM (0.44) | CYP2C19SCN9AEPHX2NAAAEPHX1 | |
| SCHEMBL6327731 | 0.81 | SCN9A (0.32) | SCN9A | |
| SCHEMBL6332696 | 0.79 | NAAA (0.37) | CYP2C19SCN9AEPHX2NAAAEPHX1 | |
| SCHEMBL2452485 | 0.79 | NAAA (0.40) | CYP2C19SCN9ANAAAHTTEPHX1 | |
| SCHEMBL19830971 | 0.79 | NAAA (0.40) | CYP2C19SCN9ANAAAHTTEPHX1 | |
| SCHEMBL27858518 | 0.79 | CYP2C19 (0.40) | CYP2C19SCN9ANAAAHTTEPHX1 | |
| SCHEMBL29205267 | 0.78 | LMNA (0.37) | CYP2C19EPHX2NAAAHTTEPHX1 |
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 |