Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PTGIR | P43119 | 1/20 | 0.42 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2091758 | 0.94 | TRPM8 (0.56) | TRPM8NPSR1CYP2C19CES2CES1 | |
| SCHEMBL5933542 | 0.88 | ALDH1A1 (0.48) | TRPM8NPSR1CYP2C19CES2CES1 | |
| SCHEMBL2492084 | 0.86 | TRPM8 (0.46) | TRPM8NPSR1CYP2C19CES2CES1 | |
| Oxalic Acid SCHEMBL29264700 | 0.86 | CES2 (0.48) | TRPM8NPSR1CYP2C19CES2CES1 | |
| SCHEMBL2488347 | 0.85 | ALDH1A1 (0.46) | TRPM8CYP2C19ALDH1A1KMT2AMEN1 | |
| SCHEMBL16707568 | 0.83 | ALDH1A1 (0.56) | TRPM8CYP2C19CES2CES1ALDH1A1 | |
| SCHEMBL12154508 | 0.83 | ALDH1A1 (0.56) | TRPM8CYP2C19CES2CES1ALDH1A1 | |
| SCHEMBL6139963 | 0.83 | ALDH1A1 (0.56) | TRPM8CYP2C19CES2CES1ALDH1A1 | |
| SCHEMBL261308 | 0.83 | ALDH1A1 (0.56) | TRPM8CYP2C19CES2CES1ALDH1A1 | |
| SCHEMBL43023 | 0.83 | ALDH1A1 (0.56) | TRPM8CYP2C19CES2CES1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2379476-A1 | NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES | The University of Melbourne (AU) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010060160-A1 | NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES | THE UNIVERSITY OF MELBOURNE (AU) | 2010-06-03 | — | — | WO | disclosed |
| WO-2010060159-A1 | NOVEL BLOCK COPOLYMERS, METHODS OF PREPARATION AND THEIR USE IN HETEROJUNCTION DEVICES | THE UNIVERSITY OF MELBOURNE (AU) | 2010-06-03 | — | — | WO | disclosed |