Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL47215 | 0.80 | — | — | |
| SCHEMBL47220 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL2703463 | 0.78 | — | — | |
| Pyrrolidine SCHEMBL18166979 | 0.67 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL11595574 | 0.58 | KDM4E (0.30) | KDM4ECYP3A4 | |
| SCHEMBL31150524 | 0.57 | — | — | |
| SCHEMBL762994 | 0.55 | — | — | |
| Amitrole SCHEMBL11136628 | 0.55 | KDM4E (0.35) | ALDH1A1KDM4E | |
| SCHEMBL3626878 | 0.54 | — | — | |
| SCHEMBL3744556 | 0.54 | IDO1 (0.50) | ALDH1A1KDM4ECYP3A4 |
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-1501810-A1 | IONIC LIQUIDS | Bayer MaterialScience AG (DE) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093246-A1 | IONIC LIQUIDS | BAYER MATERIALSCIENCE AG (DE) | 2003-11-13 | — | — | WO | disclosed |