Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL11064268 | 0.90 | CES2 (0.42) | CES2CES1ALDH1A1 | |
| SCHEMBL28071165 | 0.87 | CES2 (0.52) | CES2CES1ALDH1A1HTTCA1 | |
| SCHEMBL9134506 | 0.87 | CES2 (0.41) | CES2CES1ALDH1A1 | |
| SCHEMBL1657 | 0.87 | CES2 (0.48) | CES2CES1ALDH1A1HTTCA1 | |
| SCHEMBL6538271 | 0.84 | CES2 (0.46) | CES2CES1ALDH1A1HTTBRD4 | |
| SCHEMBL996758 | 0.84 | CES2 (0.43) | CES2CES1ALDH1A1HTTCA1 | |
| SCHEMBL19307720 | 0.81 | CES2 (0.48) | CES2CES1ALDH1A1HTTCA1 | |
| SCHEMBL20529620 | 0.80 | CES2 (0.50) | CES2CES1HTTCA1CA2 | |
| SCHEMBL9019887 | 0.79 | CES2 (0.40) | CES2CES1ALDH1A1 | |
| SCHEMBL8102971 | 0.79 | CES2 (0.35) | CES2CES1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20200399196-A1 | Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof | UNIV OKLAHOMA STATE (US) | 2020-12-24 | — | — | US | claimed |
| WO-2018187336-A1 | HYDROGEN BOND DIRECTED PHOTOCATALYTIC HYDRODEFLUORINATION AND METHODS OF USE THEREOF | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 2018-10-11 | — | — | WO | claimed |
| US-20200399196-A1 | Hydrogen Bond Directed Photocatalytic Hydrodefluorination and Methods of Use Thereof | UNIV OKLAHOMA STATE (US) | 2020-12-24 | — | — | US | disclosed |
| WO-2018187336-A1 | HYDROGEN BOND DIRECTED PHOTOCATALYTIC HYDRODEFLUORINATION AND METHODS OF USE THEREOF | THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) | 2018-10-11 | — | — | WO | disclosed |