Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | KLK7 | P49862 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL187009 | 0.83 | KMT2A (0.51) | CYP3A4ALDH1A1KLK7SMN1; SMN2LMNA | |
| SCHEMBL187008 | 0.83 | KMT2A (0.51) | CYP3A4ALDH1A1KLK7SMN1; SMN2LMNA | |
| SCHEMBL29094176 | 0.81 | KLK7 (0.44) | CYP3A4ALDH1A1CYP2D6SRCKLK7 | |
| SCHEMBL15464042 | 0.81 | CYP3A4 (0.42) | CYP3A4ALDH1A1CYP2D6SRCKLK7 | |
| SCHEMBL2689211 | 0.81 | PPARA (0.50) | CYP3A4ALDH1A1CYP2D6SRCKLK7 | |
| SCHEMBL11681237 | 0.81 | KLK7 (0.44) | CYP3A4ALDH1A1CYP2D6SRCKLK7 | |
| SCHEMBL2159876 | 0.81 | CRHBP (0.53) | ALDH1A1CYP2D6SRCSMN1; SMN2LMNA | |
| SCHEMBL8460316 | 0.80 | TSHR (0.61) | ALDH1A1KLK7SMN1; SMN2MAPK1CES2 | |
| SCHEMBL10826821 | 0.79 | ACE (0.58) | CYP3A4ALDH1A1CYP2D6SRCKLK7 | |
| SCHEMBL12134271 | 0.78 | SRC (0.50) | CYP3A4ALDH1A1CYP2D6SRCLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2401258-A1 | IONIC LIQUID SOLVENTS | Dublin City University (IE) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010097412-A1 | IONIC LIQUID SOLVENTS | DUBLIN CITY UNIVERSITY (IE) | 2010-09-02 | — | — | WO | disclosed |