Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | PAM | P19021 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5799199 | 1.00 | CES1 (0.52) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL384895 | 0.84 | CES1 (0.64) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL3881031 | 0.84 | CES1 (0.64) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL384894 | 0.84 | CES1 (0.64) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL8502638 | 0.83 | CES1 (0.52) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL304071 | 0.82 | CES1 (0.61) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL304073 | 0.82 | CES1 (0.61) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL28146029 | 0.78 | CES1 (0.56) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL6046963 | 0.77 | CES1 (0.54) | CES1CES2AKR1B1CTBP2MEN1 | |
| SCHEMBL11109782 | 0.77 | CES1 (0.54) | CES1CES2AKR1B1CTBP2MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006052985-A1 | LACTONES AS NEW OXYGENATE FUEL ADDITIVES, FUELS BASED THEREON AND METHODS FOR USING SAME | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2006-05-18 | — | — | WO | claimed |
| US-20060096158-A1 | Lactones as new oxygenate fuel additives, fuels based thereon and methods for using same | ROBINSON J M | 2006-05-11 | — | — | US | claimed |
| WO-2006052985-A1 | LACTONES AS NEW OXYGENATE FUEL ADDITIVES, FUELS BASED THEREON AND METHODS FOR USING SAME | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2006-05-18 | — | — | WO | disclosed |
| US-20060096158-A1 | Lactones as new oxygenate fuel additives, fuels based thereon and methods for using same | ROBINSON J M | 2006-05-11 | — | — | US | disclosed |