Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.34 |
| ▸ | NEK2 | P51955 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | FEN1 | P39748 | 2/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | TBK1 | Q9UHD2 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29005533 | 0.81 | CHEK1 (0.39) | KCNH2CHEK1ALOX5APFEN1FLT3 | |
| Trifluoroacetic Acid SCHEMBL29005619 | 0.80 | MAOA (0.35) | NEK2CHEK1 | |
| Trifluoroacetic Acid SCHEMBL25211512 | 0.77 | CCNT1 (0.44) | ALOX5APFEN1TBK1 | |
| Trifluoroacetic Acid SCHEMBL29005531 | 0.74 | HRH4 (0.41) | CHEK1FLT3 | |
| Trifluoroacetic Acid SCHEMBL29005450 | 0.74 | HRH4 (0.40) | CHEK1 | |
| Trifluoroacetic Acid SCHEMBL29005459 | 0.73 | CCNK (0.44) | KCNH2CHEK1 | |
| Trifluoroacetic Acid SCHEMBL26620566 | 0.69 | LIPG (0.49) | DGAT1 | |
| Trifluoroacetic Acid SCHEMBL29005633 | 0.68 | HRH4 (0.40) | KCNH2FLT3 | |
| Trifluoroacetic Acid SCHEMBL23830685 | 0.68 | HRH1 (0.58) | — | |
| SCHEMBL25028896 | 0.66 | GSK3B (0.45) | KCNH2ALOX5APFEN1TBK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115996926-A | Indole compounds as androgen receptor modulators | 尼多生物科学有限公司 | 2023-04-21 | — | — | CN | disclosed |