Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23693184 | 0.85 | CYP1A2 (0.39) | CYP1A2TDP1MGLLPHGDHPOLB | |
| SCHEMBL14162858 | 0.82 | ALDH1A1 (0.31) | CYP1A2 | |
| SCHEMBL24850911 | 0.78 | CYP1A2 (0.37) | CYP1A2TDP1MGLLPHGDHPOLB | |
| SCHEMBL19087143 | 0.76 | CYP1A2 (0.40) | CYP1A2TDP1MGLLPHGDHPOLB | |
| SCHEMBL24378185 | 0.75 | — | — | |
| SCHEMBL20430672 | 0.74 | CYP1A2 (0.34) | CYP1A2TDP1MGLLPHGDHPOLB | |
| SCHEMBL13345905 | 0.74 | CYP1A2 (0.34) | CYP1A2TDP1MGLLPHGDHPOLB | |
| SCHEMBL21448013 | 0.73 | CYP1A2 (0.37) | CYP1A2TDP1MGLLPHGDHPOLB | |
| SCHEMBL14541566 | 0.73 | — | — | |
| SCHEMBL19546968 | 0.73 | CYP1A2 (0.33) | CYP1A2TDP1MGLLPHGDH |
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-2696873-B1 | PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA | US HEALTH (US) | 2022-08-03 | — | — | EP | disclosed |