Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL786344 | 0.81 | CYP3A4 (0.43) | CYP3A4MEN1KMT2AMAPTTSHR | |
| SCHEMBL786341 | 0.80 | KMT2A (0.41) | CYP3A4MEN1KMT2AMAPTTSHR | |
| SCHEMBL785858 | 0.78 | MEN1 (0.40) | CYP3A4MEN1KMT2AMAPTTSHR | |
| SCHEMBL785859 | 0.78 | MEN1 (0.40) | CYP3A4MEN1KMT2AMAPTTSHR | |
| SCHEMBL786340 | 0.77 | MEN1 (0.39) | CYP3A4MEN1KMT2AMAPTTSHR | |
| SCHEMBL186839 | 0.72 | CYP3A4 (0.39) | CYP3A4MEN1KMT2AMAPTTSHR | |
| Hydrochloric Acid SCHEMBL187311 | 0.70 | CYP3A4 (0.51) | CYP3A4ALDH1A1PKMNAAAHTT | |
| SCHEMBL786373 | 0.69 | CYP3A4 (0.53) | CYP3A4MEN1KMT2AMAPTTSHR | |
| Bromide SCHEMBL785308 | 0.69 | CYP3A4 (0.52) | CYP3A4MEN1KMT2AMAPTTSHR | |
| SCHEMBL785951 | 0.68 | CYP3A4 (0.47) | CYP3A4MEN1KMT2AMAPTTSHR |
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 | claimed |
| WO-2010097412-A1 | IONIC LIQUID SOLVENTS | DUBLIN CITY UNIVERSITY (IE) | 2010-09-02 | — | — | WO | claimed |