Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26564402 | 0.80 | GABRR1 (0.31) | GABRR1CYP1A2HIF1ASLC6A3 | |
| SCHEMBL23190831 | 0.79 | GABRR1 (0.33) | GABRR1CYP1A2HIF1A | |
| SCHEMBL26571158 | 0.79 | DNTT (0.32) | GABRR1CYP1A2HIF1A | |
| SCHEMBL19699431 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL12491666 | 0.77 | KCNH2 (0.33) | CYP1A2 | |
| SCHEMBL13814712 | 0.73 | — | — | |
| SCHEMBL13418277 | 0.72 | HDAC1 (0.31) | — | |
| SCHEMBL6965861 | 0.72 | — | — | |
| SCHEMBL386334 | 0.71 | — | — | |
| SCHEMBL8122200 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019204477-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-10-24 | — | — | WO | disclosed |