Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 11/20 | 0.38 |
| ▸ | CES1 | P23141 | 10/20 | 0.37 |
| ▸ | CES2 | O00748 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7201573 | 0.95 | FAAH (0.43) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL7203989 | 0.79 | — | — | |
| SCHEMBL8897279 | 0.79 | FAAH (0.57) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL8897721 | 0.79 | FAAH (0.57) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL1870128 | 0.79 | FAAH (0.57) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL20844358 | 0.75 | FDPS (0.39) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL22956013 | 0.75 | FAAH (0.41) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL8896813 | 0.74 | FAAH (0.41) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL13166799 | 0.74 | FAAH (0.39) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28485188 | 0.73 | FAAH (0.59) | FAAHCES1CES2MEN1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002030882-A9 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | claimed |
| WO-2002030882-A9 | SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES | ESPERION THERAPEUTICS INC (US) | 2003-02-20 | — | — | WO | disclosed |