Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 4/20 | 0.48 |
| ▸ | ADH1C | P00326 | 3/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL170201 | 1.00 | ADH1A (0.48) | ADH1AADH1CHRH3HRH4KDM4E | |
| SCHEMBL4570866 | 1.00 | ADH1A (0.48) | ADH1AADH1CHRH3HRH4KDM4E | |
| SCHEMBL21180049 | 1.00 | ADH1A (0.48) | ADH1AADH1CHRH3HRH4KDM4E | |
| SCHEMBL5703290 | 1.00 | ADH1A (0.48) | ADH1AADH1CHRH3HRH4KDM4E | |
| Water SCHEMBL28842264 | 0.97 | ADH1A (0.46) | ADH1AADH1CHRH3HRH4KDM4E | |
| SCHEMBL3373676 | 0.97 | — | — | |
| SCHEMBL5050535 | 0.94 | — | — | |
| SCHEMBL4757265 | 0.94 | — | — | |
| SCHEMBL18743263 | 0.87 | ADH1A (0.39) | ADH1AADH1CHRH3HRH4KDM4E | |
| SCHEMBL4756581 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1958990-B1 | Colorant compounds | XEROX CORP (US) | 2018-05-30 | — | — | EP | disclosed |