Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24168345 | 0.83 | ALDH1A1 (0.30) | ALDH1A1TSHR | |
| SCHEMBL927505 | 0.78 | CA12 (0.39) | ALDH1A1TSHRCA12CA1CA9 | |
| SCHEMBL16181325 | 0.77 | ALDH1A1 (0.33) | ALDH1A1TSHRALDH2CA12CA1 | |
| SCHEMBL11701972 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TSHRCA12CA1CA9 | |
| SCHEMBL11107651 | 0.74 | CA12 (0.39) | ALDH1A1TSHRCA12CA1CA9 | |
| SCHEMBL29015023 | 0.72 | ZDHHC20 (0.45) | ALDH1A1TSHRCA12CA1CA9 | |
| SCHEMBL11783592 | 0.72 | GRIN2D (0.37) | ALDH1A1TSHR | |
| SCHEMBL2950233 | 0.72 | CA12 (0.38) | ALDH1A1TSHRCA12CA1CA9 | |
| SCHEMBL8092281 | 0.71 | ZDHHC20 (0.44) | ALDH1A1TSHR | |
| SCHEMBL12512731 | 0.71 | ZDHHC20 (0.44) | ALDH1A1TSHR |
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-2888251-B1 | PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF | PETER MACCALLUM CANCER INST (AU) | 2019-04-24 | — | — | EP | disclosed |