Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL15821110 | 0.97 | CES2 (0.48) | CES2CES1HDAC8HDAC6CA12 | |
| SCHEMBL6907830 | 0.97 | CES2 (0.55) | CES2CES1HDAC8HDAC6CA12 | |
| Bromide SCHEMBL15821319 | 0.97 | CES2 (0.48) | CES2CES1HDAC8HDAC6CA12 | |
| SCHEMBL6908748 | 0.97 | CES2 (0.55) | CES2CES1HDAC8HDAC6CA12 | |
| SCHEMBL6914870 | 0.97 | CES2 (0.55) | CES2CES1HDAC8HDAC6CA12 | |
| SCHEMBL20702517 | 0.97 | CES2 (0.53) | CES2CES1HDAC8HDAC6CA12 | |
| Water SCHEMBL15821515 | 0.94 | CES2 (0.52) | CES2CES1HDAC8HDAC6CA12 | |
| Bromide SCHEMBL15820930 | 0.94 | CES2 (0.52) | CES2CES1HDAC8HDAC6CA12 | |
| Water SCHEMBL15820867 | 0.94 | CES2 (0.52) | CES2CES1HDAC8HDAC6CA12 | |
| Hydrochloric Acid SCHEMBL15820969 | 0.94 | CES2 (0.52) | CES2CES1HDAC8HDAC6CA12 |
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-2014099171-A1 | PREPARATION OF TRIALKYLINDIUM COMPOUNDS AND TRIALKYLGALLIUM COMPOUNDS | ALBEMARLE CORPORATION (US) | 2014-06-26 | — | — | WO | disclosed |
| US-6830704-B2 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. (JP) | 2004-12-14 | — | — | US | disclosed |
| US-20030135016-A1 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. | 2003-07-17 | — | — | US | disclosed |
| US-6547985-B1 | Adhesive mixture | TOGOSEI CO., LTD. (JP) | 2003-04-15 | — | — | US | disclosed |