Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.40 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3912386 | 1.00 | CES2 (0.41) | CES2CES1CYP2D6GABBR2GABBR1 | |
| SCHEMBL900143 | 1.00 | CES2 (0.41) | CES2CES1CYP2D6GABBR2GABBR1 | |
| SCHEMBL3159714 | 0.88 | CFD (0.38) | CES2CES1GABBR2GABBR1EPHX1 | |
| Phenethylamine SCHEMBL4778932 | 0.87 | HTR2A (0.48) | GABBR2GABBR1EPHX1MAPK1KEAP1 | |
| Phenethylamine SCHEMBL4774533 | 0.87 | HTR2A (0.48) | GABBR2GABBR1EPHX1MAPK1KEAP1 | |
| SCHEMBL27651702 | 0.86 | CES2 (0.40) | CES2CES1CYP2D6GABBR2GABBR1 | |
| Armodafinil SCHEMBL34489 | 0.85 | CYP2D6 (0.44) | CES2CES1CYP2D6GABBR2GABBR1 | |
| (S)-Modafinil SCHEMBL1403524 | 0.85 | CYP2D6 (0.44) | CES2CES1CYP2D6GABBR2GABBR1 | |
| Modafinil SCHEMBL3238686 | 0.85 | CYP2D6 (0.44) | CES2CES1CYP2D6GABBR2GABBR1 | |
| Modafinil SCHEMBL34488 | 0.85 | CYP2D6 (0.44) | CES2CES1CYP2D6GABBR2GABBR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7553646-B2 | Microbial sulfoxidation and amidation of benzhdrylsulfanyl carboxylic acids and uses thereof | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2009-06-30 | — | — | US | disclosed |
| US-7553646-B2 | Microbial sulfoxidation and amidation of benzhdrylsulfanyl carboxylic acids and uses thereof | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2009-06-30 | — | — | US | disclosed |
| WO-2007027328-A2 | MICROBIAL SULFOXIDATION AND AMIDATION OF BENZHDRYLSULFANYL CARBOXYLIC ACIDS AND USES THEREOF | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2007-03-08 | — | — | WO | disclosed |
| US-20070026507-A1 | MICROBIAL SULFOXIDATION AND AMIDATION OF BENZHDRYLSULFANYL CARBOXYLIC ACIDS AND USES THEREOF | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2007-02-01 | — | — | US | disclosed |
| US-20070026507-A1 | MICROBIAL SULFOXIDATION AND AMIDATION OF BENZHDRYLSULFANYL CARBOXYLIC ACIDS AND USES THEREOF | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2007-02-01 | — | — | US | disclosed |
| US-20070026507-A1 | MICROBIAL SULFOXIDATION AND AMIDATION OF BENZHDRYLSULFANYL CARBOXYLIC ACIDS AND USES THEREOF | UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) | 2007-02-01 | — | — | US | disclosed |